A0A077Z1K1_TRITR Loading...

Zinc finger CCHC domain-containing protein 7

AlphaFold DB , UniProt , Accession A0A077Z1K1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 289 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33Very low32.4Very low251 Ų251156.3 Ų156.3100%1.23685%0.851SS**  0108.10-62.4179.28800106.9
2S35.5Very low32.8Very low111 Ų111157.4 Ų157.478%0.77685%0.854SS**  trans-139.295.9172.755.20000107.6
3E27.7Very low32.8Very low195 Ų195156.4 Ų156.491%0.91185%0.847SS**  trans-63.5127.1170.1-81.2173.7125.300109.3
4V33.2Very low32.8Very low112 Ų112154.2 Ų154.268%0.67985%0.845SS**  trans-99.6104.4169.5178.10000106.8Y6V4-Y6 HydrophobicContact CG1-CE2 4.47Å
5Q26.6Very low32.9Very low187 Ų187155.4 Ų155.487%0.87485%0.846SS**PPolyproline II helixtrans-76131.6170.1-73178.1-68.400109.8
6Y37.4Very low32.8Very low199 Ų199152.2 Ų152.278%0.7884%0.835SS**PPolyproline II helixtrans-94.2144.1169.2-70.6-85000110.3V4V4-Y6 HydrophobicContact CG1-CE2 4.47Å
7P32.3Very low32.7Very low128 Ų128151.2 Ų151.283%0.83183%0.834SS**PPolyproline II helixtrans-69.1135.4-176.7-14.529000112.6
8L32.8Very low32.7Very low163 Ų163151.8 Ų151.885%0.85383%0.833SS**PPolyproline II helixtrans-75.5129.4174.1-72.5162000111.6
9E34.2Very low32.4Very low186 Ų186152.5 Ų152.587%0.86983%0.834SS**  trans34.6116.8148.3-53.3-162.4160.600120.8
10G32Very low32.4Very low72 Ų72152.9 Ų152.974%0.74283%0.834SS**  trans-102.1130153.500000109.8
11S31.8Very low32.2Very low115 Ų115154.3 Ų154.380%0.80484%0.835SS**  trans-59.2132.4-175.462.50000113.1
12L37.3Very low31.9Very low170 Ų170154 Ų15489%0.8982%0.819SS**  trans-107.8124.2165.6-70.3173.9000109.4
13D32.4Very low31.7Very low144 Ų144154.1 Ų154.177%0.7782%0.818SS**PPolyproline II helixtrans-59.2150.6179.6-63.9-55.2000113.2M15D13-M15 PolarHBondContact O-N 3.07Å
14P33.2Very low31.9Very low126 Ų126152 Ų15282%0.81881%0.813SS**PPolyproline II helixtrans-73.6123.1-178.629.4-32.6000111.6
15M34.6Very low31.6Very low172 Ų172154 Ų15485%0.84782%0.82SS**PPolyproline II helixtrans-84.2142.9170-90.4-83.2100.500111.6D13D13-M15 PolarHBondContact O-N 3.07Å
16P31.5Very low31.8Very low104 Ų104151.1 Ų151.168%0.67581%0.814SS**PPolyproline II helixtrans-79.1142.5-166.232.3-35.8000113.5M18P16-M18 PolarHBondContact O-N 3.39Å
17T29.8Very low31.3Very low135 Ų135147 Ų14783%0.82881%0.81SS**PPolyproline II helixtrans-66.4118.3175.9-46.90000111.3
18M33Very low31.3Very low163 Ų163148 Ų14880%0.80381%0.807SS**  trans-112.7124.3165.6-72.8-117.972.500109.7P16P16-M18 PolarHBondContact O-N 3.39Å
19L27.5Very low30.9Very low164 Ų164148.9 Ų148.986%0.85981%0.806SS**  trans-65.1128.3175.8-64.6166000109.8
20I32.2Very low30.8Very low161 Ų161142.9 Ų142.983%0.82680%0.795SS**  trans-121.6118.8168.8-59.4178.2000107.8
21E29.2Very low30.6Very low183 Ų183147.3 Ų147.386%0.85580%0.801SS**  trans-63138.9178.2-62.6176.3150.100111.6
22R25.2Very low30.7Very low243 Ų243151 Ų15192%0.91781%0.806SS**  trans-83137.9175.8-63.4177.6177.3-175.1-3.3110.3
23P31.6Very low30.5Very low114 Ų114146.7 Ų146.774%0.7480%0.795SS**  trans-112114.5157.115.83.7000112
24N31.7Very low30.4Very low151 Ų151146.9 Ų146.981%0.80780%0.796SS**  trans59.5116.8141.6-58.6-22.5000120.9
25D26.7Very low30.1Very low154 Ų154151.9 Ų151.982%0.82480%0.798SS**  trans-58.5128.2174.2-54.3-59.9000113.3
26V31Very low29.8Very low126 Ų126151.7 Ų151.776%0.76480%0.796SS**  trans-108.3100153.4177.90000106.7I28V26-I28 HydrophobicContact CG1-CG1 4.16Å; V26-I28 PolarHBondContact O-N 3.04Å
27V27.5Very low29.7Very low113 Ų113154.7 Ų154.769%0.68579%0.794SS**  trans-67.4111.2171.5176.90000108.2Q29V27-Q29 HydrophobicContact CG1-CG 3.96Å
28I31.7Very low29.8Very low149 Ų149153.1 Ų153.176%0.76479%0.786SS**  trans-108.897.5159.8-56.8-170.6000106.7V26V26-I28 HydrophobicContact CG1-CG1 4.16Å; V26-I28 PolarHBondContact O-N 3.04Å
29Q25.2Very low29.7Very low181 Ų181148.4 Ų148.485%0.84678%0.78SS**  trans-70.7121.9162.8-77174.1-25.900108.1V27V27-Q29 HydrophobicContact CG1-CG 3.96Å
30G31.1Very low29.8Very low61 Ų61148.4 Ų148.463%0.62977%0.773SS**  trans178.7106.1174.800000110.9E32G30-E32 PolarHBondContact O-N 3.28Å
31D29.4Very low29.5Very low164 Ų164151.8 Ų151.888%0.87778%0.775SS**  trans-41.3122-173.1-58.7-49.1000115.1A33D31-A33 PolarHBondContact O-N 3.21Å
32E32.6Very low29.4Very low193 Ų193151.7 Ų151.790%0.90277%0.772SS**THydrogen-bonded Turntrans-76.420.3-176.9-69.1-165.5130.700115.2G30G30-E32 PolarHBondContact O-N 3.28Å
33A32.9Very low29.4Very low79 Ų79146.1 Ų146.165%0.65377%0.765SS**THydrogen-bonded Turntrans-94.7-7.7-17100000116.4D31D31-A33 PolarHBondContact O-N 3.21Å
34N30Very low29.1Very low148 Ų148148.4 Ų148.479%0.79176%0.763SS**  trans-14854.3-172.7-78.2-55000115.2E36N34-E36 PolarHBondContact O-N 3.21Å
35R27.4Very low28.9Very low231 Ų231149 Ų14987%0.87277%0.766SS**  trans-75.180.3159.7-94.4-170.4-177.51111.2109.9Y37R35-Y37 PolarHBondContact O-N 3.42Å
36E29.7Very low29.1Very low169 Ų169146.5 Ų146.579%0.7975%0.752SS**  trans-71108168.2-161.3166.9-156.700108.6N34 P38N34-E36 PolarHBondContact O-N 3.21Å; E36-P38 WeakPolarHBondContact O-CD 3.22Å
37Y29.2Very low29Very low166 Ų166146.8 Ų146.865%0.65175%0.749SS**  trans-61.5121.7174.9-80.4-94.1000109.7R35 G39R35-Y37 PolarHBondContact O-N 3.42Å; Y37-G39 VanDerWaalsContact C-N 3.3Å; Y37-G39 PolarHBondContact O-N 3.38Å
38P30.6Very low29.1Very low102 Ų102152.1 Ų152.166%0.66276%0.764SS**THydrogen-bonded Turntrans-72.690.1173.429-30.3000108.3E36 M168E36-P38 WeakPolarHBondContact O-CD 3.22Å; P38-M168 HydrophobicContact CG-SD 4.29Å
39G31.4Very low29.2Very low64 Ų64153.4 Ų153.466%0.6676%0.764SS**THydrogen-bonded Turntrans177-8.3-176.900000115.8Y37 R41Y37-G39 VanDerWaalsContact C-N 3.3Å; Y37-G39 PolarHBondContact O-N 3.38Å; G39-R41 PolarHBondContact O-N 3.38Å
40K29.3Very low29.3Very low164 Ų164152 Ų15271%0.71376%0.762SS**  trans-74.471.3173.3-68-173.1-178.7179.30111.6F42K40-F42 HydrophobicContact CB-CD2 4.48Å; K40-F42 HydrophobicContact CB-CE2 4.35Å; K40-F42 HydrophobicContact CD-CE2 4.37Å; K40-F42 HydrophobicContact CG-CE2 4.07Å
41R26.9Very low29.3Very low233 Ų233153.8 Ų153.888%0.87977%0.771SS**  trans-110.982.2150.8-126.6179.1-177.6163.30.4106.1G39 V43G39-R41 PolarHBondContact O-N 3.38Å; R41-V43 PolarHBondContact O-N 3.37Å; R41-V43 VanDerWaalsContact O-N 3.14Å
42F26.2Very low29.2Very low181 Ų181149.8 Ų149.879%0.79477%0.768SS**  trans-60.9114.9164.2-72.2-87.4000106.5K40 K44K40-F42 HydrophobicContact CB-CD2 4.48Å; K40-F42 HydrophobicContact CB-CE2 4.35Å; K40-F42 HydrophobicContact CD-CE2 4.37Å; K40-F42 HydrophobicContact CG-CE2 4.07Å; F42-K44 PolarHBondContact O-N 3.21Å; F42-K44 VanDerWaalsContact O-N 3.09Å
43V25.8Very low29Very low125 Ų125147.3 Ų147.376%0.75877%0.766SS**  trans-68.8105.6163.7178.30000105.1R41 L45R41-V43 PolarHBondContact O-N 3.37Å; R41-V43 VanDerWaalsContact O-N 3.14Å; V43-L45 PolarHBondContact O-N 2.83Å
44K25.4Very low28.8Very low162 Ų162152.1 Ų152.170%0.70478%0.775SS**  trans-65.5103.2169-155.9-178.2-179.2-166.70106.3F42 D46F42-K44 PolarHBondContact O-N 3.21Å; F42-K44 VanDerWaalsContact O-N 3.09Å; K44-D46 WeakPolarHBondContact CD-OD1 3.41Å; K44-D46 WeakPolarHBondContact CE-OD1 3.3Å; K44-D46 IonicContact NZ-OD1 2.75Å; K44-D46 PolarHBondContact O-N 2.81Å; K44-D46 VanDerWaalsContact O-N 3.07Å
45L27.4Very low28.6Very low165 Ų165153.3 Ų153.386%0.86478%0.781SS**  trans-75.687.5165.9-75.5169.1000106.3V43V43-L45 PolarHBondContact O-N 2.83Å
46D29.6Very low28.7Very low101 Ų101146.9 Ų146.954%0.5478%0.777SS.*  trans-73.3131.5168.6-71.1-43.1000108.7K44K44-D46 WeakPolarHBondContact CD-OD1 3.41Å; K44-D46 WeakPolarHBondContact CE-OD1 3.3Å; K44-D46 IonicContact NZ-OD1 2.75Å; K44-D46 PolarHBondContact O-N 2.81Å; K44-D46 VanDerWaalsContact O-N 3.07Å
47N29.5Very low28.6Very low132 Ų132145.6 Ų145.671%0.70678%0.776SS**  trans75.190.3163.1-55-32.2000118.9
48F30.4Very low28.7Very low224 Ų224145.4 Ų145.498%0.98279%0.786SS**  trans-127.8102.1135.2-92.1-88.5000108.3
49K34.1Very low28.5Very low176 Ų176146.5 Ų146.577%0.76580%0.795SS**  trans-82.7131.7167.1-76.7-177.5175.2-177.80108.7
50D27.4Very low28.4Very low151 Ų151151.5 Ų151.581%0.80780%0.801SS**  trans50100.8144.8-48.8-33.7000118.8
51A31.3Very low28.5Very low99 Ų99151.5 Ų151.582%0.81880%0.803SS**  trans-161.4105.3134.100000108.5
52G25.7Very low28.6Very low80 Ų80150.4 Ų150.483%0.82581%0.805SS**  trans-70.6139.7170.700000110.7
53V28.5Very low28.9Very low142 Ų142146.5 Ų146.586%0.86180%0.8SS**  trans-141.7131160178.90000108.1
54E28.9Very low29Very low180 Ų180145.9 Ų145.984%0.84180%0.801SS**  trans-64.6153.9-176.7-60.5-178.7136.700113.4A56E54-A56 PolarHBondContact O-N 2.88Å
55L26Very low29.3Very low173 Ų173144.8 Ų144.891%0.90681%0.808SS**  trans-58.1125.7165.9-10079.8000110.1
56A29.6Very low29.3Very low96 Ų96143.2 Ų143.279%0.79381%0.806SS**  trans-145.6119.8151.600000109.7E54E54-A56 PolarHBondContact O-N 2.88Å
57D27.1Very low29.5Very low142 Ų142145.4 Ų145.476%0.75982%0.816SS**  trans-54.9134.5166.5-62.1-53.9000110.1
58N31.8Very low29.4Very low162 Ų162145.7 Ų145.787%0.86682%0.823SS**  trans170.9119.7130.5-81.2-31.8000110.8
59C27Very low29.6Very low125 Ų125140.7 Ų140.785%0.84581%0.811SS**  trans-77.4126.8167-173.70000108.1
60E28Very low29.5Very low168 Ų168138.1 Ų138.179%0.78581%0.809SS**  trans-179.5131.9135.8-100175.5-155.400110.9
61H31.6Very low29.7Very low164 Ų164136.9 Ų136.976%0.75981%0.809SS**  trans52.3113.5153.6-71.263.7000118
62F30.3Very low29.6Very low210 Ų210139.6 Ų139.692%0.92181%0.809SS**  -168138.6121.4-115.5-84.8000112.2
63S31.3Very low30Very low99 Ų99144.7 Ų144.769%0.69281%0.811SS**  trans-73.1147.4-172.3-52.90000114.7
64S27.5Very low30.1Very low112 Ų112145.9 Ų145.978%0.78381%0.807SS**  trans49.2107.6137.7-490000119.3
65T31.5Very low30.3Very low139 Ų139142.8 Ų142.885%0.85380%0.803SS**  trans-140.8126.9146.9-42.80000111
66T27.7Very low30.8Very low132 Ų132141.7 Ų141.781%0.8180%0.796SS**  trans-67.4127.8-172.9-37.10000112.1
67I34.4Very low30.8Very low147 Ų147146.1 Ų146.175%0.75480%0.8SS**  trans-123116.3164-61.1179.1000109T69I67-T69 PolarHBondContact O-N 2.66Å
68T27.7Very low31.1Very low138 Ų138144.3 Ų144.385%0.84780%0.798SS**  trans-69.1112.3174.4-41.20000109.6
69T33.8Very low31.3Very low119 Ų119140.8 Ų140.873%0.7379%0.791SS**  trans-147123170-10.90000112.8I67I67-T69 PolarHBondContact O-N 2.66Å
70V32.9Very low31.8Very low122 Ų122140.9 Ų140.974%0.73979%0.79SS**  trans-12.3137166.9-168.70000117.2I72V70-I72 PolarHBondContact O-N 3.49Å; V70-I72 VanDerWaalsContact O-N 3.11Å
71P30.6Very low32.1Very low125 Ų125138.1 Ų138.181%0.81279%0.789SS**  trans-68.7112.1-175.328.1-33.1000111.3Q73P71-Q73 PolarHBondContact O-N 3.49Å
72I29.8Very low32.3Very low156 Ų156136.2 Ų136.280%0.878%0.784SS**  trans-79.1114.2162.9-62171.4000106.1V70 E74V70-I72 PolarHBondContact O-N 3.49Å; V70-I72 VanDerWaalsContact O-N 3.11Å; I72-E74 PolarHBondContact O-N 3.4Å; I72-E74 VanDerWaalsContact O-N 3.08Å
73Q33.3Very low32.3Very low188 Ų188135.8 Ų135.888%0.87978%0.782SS**  trans-67.6106.3176.3-139.3159.1-700108.3P71P71-Q73 PolarHBondContact O-N 3.49Å
74E31.8Very low32.4Very low166 Ų166136.5 Ų136.578%0.77678%0.783SS**  trans-61.6135.8177.5-63.3-172.3155.300110.2I72 I76I72-E74 PolarHBondContact O-N 3.4Å; I72-E74 VanDerWaalsContact O-N 3.08Å; E74-I76 PolarHBondContact O-N 2.83Å; E74-I76 VanDerWaalsContact O-N 3.08Å
75P32.9Very low32.6Very low115 Ų115137.4 Ų137.475%0.74778%0.779SS**  trans-69.9112.1174.425.1-25.5000108.8H77P75-H77 PolarHBondContact O-N 3.47Å
76I35.4Very low32.6Very low151 Ų151136.6 Ų136.677%0.77478%0.776SS**  trans-50.3111.5173.9-57.8169.7000108.7E74 C78E74-I76 PolarHBondContact O-N 2.83Å; E74-I76 VanDerWaalsContact O-N 3.08Å; I76-C78 PolarHBondContact O-N 3.31Å
77H31.3Very low32.7Very low189 Ų189137.6 Ų137.688%0.87577%0.774SS**  trans-59.799.9173-91.5-88.4000109.7P75 A79P75-H77 PolarHBondContact O-N 3.47Å; H77-A79 PolarHBondContact O-N 3.02Å
78C32.6Very low32.6Very low104 Ų104135.9 Ų135.970%0.70377%0.773SS**  trans-85.5110.6167.2-79.70000109.7I76I76-C78 PolarHBondContact O-N 3.31Å
79A35.9Very low32.9Very low88 Ų88135.4 Ų135.473%0.72777%0.77SS**  trans-52.3150.5177.100000113.7H77 S81H77-A79 PolarHBondContact O-N 3.02Å; A79-S81 PolarHBondContact O-N 2.88Å
80P38Very low33Very low126 Ų126138.6 Ų138.682%0.81878%0.779SS**  trans-74.3112.2168.31.116000109.2D82P80-D82 PolarHBondContact O-N 3.09Å
81S33.3Very low33.1Very low110 Ų110141.4 Ų141.477%0.76978%0.781SS**  trans-72.996.6163.559.90000109.5A79A79-S81 PolarHBondContact O-N 2.88Å
82D35.6Very low33.3Very low124 Ų124142.7 Ų142.766%0.66378%0.781SS**  trans-118.6102.1157.4-95.4-19.2000108.1P80 T84P80-D82 PolarHBondContact O-N 3.09Å; D82-T84 VanDerWaalsContact C-N 3.32Å; D82-T84 PolarHBondContact O-N 3.14Å
83K32Very low33.9Very low201 Ų201143 Ų14387%0.87479%0.785SS**  trans-74.281.3174.1-67.6-176.6177.1-174.70109.3
84T33Very low34.2Very low115 Ų115137.6 Ų137.671%0.70677%0.772SS**  trans-176.596.4156.442.60000108.4D82D82-T84 VanDerWaalsContact C-N 3.32Å; D82-T84 PolarHBondContact O-N 3.14Å
85N31.8Very low34.5Very low130 Ų130132.9 Ų132.970%0.69576%0.762SS**  trans158.4138.2140.1-76.7-23.5000110.7
86P30.2Very low35.3Very low122 Ų122133.6 Ų133.679%0.79276%0.758SS**PPolyproline II helixtrans-71.1131.3178.620.8-15.6000110.2
87I30.2Very low36.1Very low153 Ų153129.5 Ų129.579%0.78574%0.737SS**PPolyproline II helixtrans-60.8124.2167.7-62.3168000106.9T89I87-T89 PolarHBondContact O-N 3.11Å
88P32.1Very low37.1Very low111 Ų111130.4 Ų130.472%0.72174%0.742SS**PPolyproline II helixtrans-61.2124.4168.7-15.228.5000107.9M90P88-M90 PolarHBondContact O-N 3.07Å
89T34Very low38.1Very low129 Ų129134.4 Ų134.479%0.79175%0.747SS**  trans-54.1111.8170.942.10000108.4I87 K91I87-T89 PolarHBondContact O-N 3.11Å; T89-K91 PolarHBondContact O-N 2.93Å
90M35.7Very low38.7Very low185 Ų185132.8 Ų132.891%0.91174%0.739SS**  trans-63.5107.9166.4-79.3-166.9157.700106.6P88 D92P88-M90 PolarHBondContact O-N 3.07Å; M90-D92 PolarHBondContact O-N 3.4Å; M90-D92 VanDerWaalsContact O-N 3.16Å
91K36.2Very low38.9Very low182 Ų182132.7 Ų132.779%0.79173%0.728SS**  trans-65.6108.1162.2-76.6-177.9173.8-176.80106.9T89 N93T89-K91 PolarHBondContact O-N 2.93Å; K91-N93 PolarHBondContact O-N 2.84Å
92D35.2Very low39.3Very low152 Ų152131.6 Ų131.681%0.81372%0.718SS**  trans15.888.2149.8-48.7-38.4000115.8M90M90-D92 PolarHBondContact O-N 3.4Å; M90-D92 VanDerWaalsContact O-N 3.16Å
93N41.1Very low39.6Very low163 Ų163133.2 Ų133.287%0.87271%0.714SS**  trans-93.185.1152.4-73.8-22.6000106.6K91 A95K91-N93 PolarHBondContact O-N 2.84Å; N93-A95 PolarHBondContact O-N 3.23Å
94A39.4Very low40.4Very low73 Ų73131.5 Ų131.560%0.60371%0.71SS**  trans-64.8124.717200000108.9I96A94-I96 PolarHBondContact O-N 3.11Å; A94-I96 VanDerWaalsContact O-N 3.15Å
95A39.2Very low40.8Very low68 Ų68131.3 Ų131.356%0.56270%0.704SS**  trans-64.8112.9169.800000108.5N93 R103N93-A95 PolarHBondContact O-N 3.23Å; A95-R103 PolarHBondContact O-N 3.28Å
96I49.7Very low41Very low130 Ų130129.5 Ų129.567%0.66770%0.701SS**BIsolated β-bridgetrans-88.3135.1175.49.7168.8000108.3A94A94-I96 PolarHBondContact O-N 3.11Å; A94-I96 VanDerWaalsContact O-N 3.15Å
97D50.9Low41.4Very low64 Ų64126.2 Ų126.234%0.34268%0.684SS.*  trans-76.7174.2172.7738.6000112K99 G100 E101D97-K99 PolarHBondContact O-N 3.37Å; D97-K99 VanDerWaalsContact OD1-C 3.31Å; D97-K99 WeakPolarHBondContact OD1-CA 3.26Å; D97-K99 WeakPolarHBondContact OD1-CB 3.47Å; D97-K99 PolarHBondContact OD1-N 3.36Å; D97-G100 PolarHBondContact O-N 3.49Å; D97-G100 PolarHBondContact OD1-N 3.33Å; D97-E101 PolarHBondContact N-O 3.22Å; D97-E101 PolarHBondContact OD1-N 2.88Å
98E52.6Low41.9Very low209 Ų209123.7 Ų123.798%0.97767%0.672SS**THydrogen-bonded Turntrans-63.2-3.6179.2-59.3-175.1171.900113.8
99K54.9Low42.3Very low188 Ų188125.3 Ų125.382%0.81767%0.67SS**THydrogen-bonded Turntrans-111.11.4177.1-64.4-176.8179.9178.30113.2D97 E101D97-K99 PolarHBondContact O-N 3.37Å; D97-K99 VanDerWaalsContact OD1-C 3.31Å; D97-K99 WeakPolarHBondContact OD1-CA 3.26Å; D97-K99 WeakPolarHBondContact OD1-CB 3.47Å; D97-K99 PolarHBondContact OD1-N 3.36Å; K99-E101 VanDerWaalsContact C-N 3.3Å
100G46.9Very low42.4Very low53 Ų53127.9 Ų127.955%0.54667%0.667SS.*SBendtrans75.915.4-18000000114.2D97D97-G100 PolarHBondContact O-N 3.49Å; D97-G100 PolarHBondContact OD1-N 3.33Å
101E42.4Very low42.7Very low125 Ų125125.1 Ų125.158%0.58465%0.649SS**  trans-94.8144176.5-72.3-80.1149.800110.3D97 K99 R103D97-E101 PolarHBondContact N-O 3.22Å; D97-E101 PolarHBondContact OD1-N 2.88Å; K99-E101 VanDerWaalsContact C-N 3.3Å; E101-R103 PolarHBondContact O-N 3.2Å
102P41.4Very low43.2Very low86 Ų86120.9 Ų120.956%0.55864%0.639SS**BIsolated β-bridgetrans-68.4128177.4-11.125.9000110.7E104P102-E104 PolarHBondContact O-N 3.32Å
103R42.9Very low43.3Very low158 Ų158120.1 Ų120.160%0.59663%0.63SS**  trans-66.4103.5170.9-114-176.8169.9178.11.3110.7A95 E101 D105A95-R103 PolarHBondContact O-N 3.28Å; E101-R103 PolarHBondContact O-N 3.2Å; R103-D105 IonicContact NE-OD2 3.58Å; R103-D105 PolarHBondContact O-N 3.05Å
104E48.4Very low43.3Very low166 Ų166115 Ų11578%0.77661%0.61SS**THydrogen-bonded Turntrans-71-10.2178.6-71.3-167.5145.300113.7P102P102-E104 PolarHBondContact O-N 3.32Å
105D41.8Very low43.4Very low110 Ų110118.2 Ų118.259%0.58861%0.611SS**THydrogen-bonded Turntrans-87.9-16.5-168.117.7-44.5000113.4R103R103-D105 IonicContact NE-OD2 3.58Å; R103-D105 PolarHBondContact O-N 3.05Å
106C36Very low43.6Very low93 Ų93118.5 Ų118.563%0.62861%0.606SS**SBendtrans-95.9-10.5-178.1-144.10000113.9
107A38.2Very low43.1Very low52 Ų52116.6 Ų116.643%0.4360%0.603SS.*Hα-helixtrans-88.8-16.3-179.500000113.8K111A107-K111 WeakPolarHBondContact O-CG 3.17Å
108N41.6Very low42.9Very low100 Ų100117.5 Ų117.554%0.53562%0.619SS.*Hα-helixtrans-91.8-26.5-175.7-78.9-25.1000113.4K111 V112N108-K111 PolarHBondContact O-N 3.2Å; N108-V112 WeakPolarHBondContact O-CG2 3.42Å; N108-V112 PolarHBondContact O-N 2.83Å; N108-V112 VanDerWaalsContact O-N 3.09Å
109E38.8Very low42.5Very low146 Ų146115.4 Ų115.468%0.68261%0.609SS**Hα-helixtrans-65.7-43.8175.1-122.1170.3-178.400111.4K111 V112 E113E109-K111 VanDerWaalsContact C-N 3.32Å; E109-K111 PolarHBondContact O-N 3.03Å; E109-V112 PolarHBondContact O-N 2.87Å; E109-E113 PolarHBondContact O-N 3.22Å; E109-E113 VanDerWaalsContact O-N 3.14Å
110Y37.4Very low41.9Very low183 Ų183111.4 Ų111.472%0.71860%0.596SS**Hα-helixtrans-67.4-30.3176.7-165.1-100.1000113.2A114Y110-A114 VanDerWaalsContact O-CB 3.22Å; Y110-A114 WeakPolarHBondContact O-CB 3.45Å; Y110-A114 PolarHBondContact O-N 3.35Å
111K41.5Very low41.5Very low126 Ų126118 Ų11855%0.54861%0.612SS.*Hα-helixtrans-77-27176.4-76.8177.3-178.1171.60112.9A107 N108 E109 K115A107-K111 WeakPolarHBondContact O-CG 3.17Å; N108-K111 PolarHBondContact O-N 3.2Å; E109-K111 VanDerWaalsContact C-N 3.32Å; E109-K111 PolarHBondContact O-N 3.03Å; K111-K115 VanDerWaalsContact O-CB 3.31Å; K111-K115 WeakPolarHBondContact O-CB 3.13Å; K111-K115 VanDerWaalsContact O-CG 3.25Å; K111-K115 WeakPolarHBondContact O-CG 3.11Å; K111-K115 PolarHBondContact O-N 3.24Å; K111-K115 VanDerWaalsContact O-N 3.1Å
112V46.2Very low41.6Very low94 Ų94115.7 Ų115.757%0.5761%0.607SS**Hα-helixtrans-78.2-38.8176.41760000110.5N108 E109 K115 T116N108-V112 WeakPolarHBondContact O-CG2 3.42Å; N108-V112 PolarHBondContact O-N 2.83Å; N108-V112 VanDerWaalsContact O-N 3.09Å; E109-V112 PolarHBondContact O-N 2.87Å; V112-K115 PolarHBondContact O-N 3.08Å; V112-T116 WeakPolarHBondContact O-CG2 3.47Å; V112-T116 PolarHBondContact O-N 3.47Å; V112-T116 VanDerWaalsContact O-N 3.08Å; V112-T116 PolarHBondContact O-OG1 3.43Å; V112-T116 VanDerWaalsContact O-OG1 3.08Å
113E37.4Very low41.7Very low136 Ų136115.8 Ų115.864%0.63660%0.602SS**Hα-helixtrans-69.2-37.1172.6-71.5-172.6154.100112.9E109 T116 C117E109-E113 PolarHBondContact O-N 3.22Å; E109-E113 VanDerWaalsContact O-N 3.14Å; E113-T116 WeakPolarHBondContact CA-OG1 3.11Å; E113-T116 PolarHBondContact O-OG1 3.03Å; E113-C117 PolarHBondContact O-N 3.26Å; E113-C117 PolarHBondContact O-SG 3.29Å
114A42Very low42Very low55 Ų55115.9 Ų115.946%0.45561%0.608SS.*Hα-helixtrans-70.9-32.8175.400000113.2Y110 A118Y110-A114 VanDerWaalsContact O-CB 3.22Å; Y110-A114 WeakPolarHBondContact O-CB 3.45Å; Y110-A114 PolarHBondContact O-N 3.35Å; A114-A118 PolarHBondContact O-N 3.38Å
115K41.9Very low42.3Very low141 Ų141115.6 Ų115.661%0.61361%0.611SS**Hα-helixtrans-73.2-37.7175.7-82.1179.7176.7-175.50112.8K111 V112 C117 A118 E119K111-K115 VanDerWaalsContact O-CB 3.31Å; K111-K115 WeakPolarHBondContact O-CB 3.13Å; K111-K115 VanDerWaalsContact O-CG 3.25Å; K111-K115 WeakPolarHBondContact O-CG 3.11Å; K111-K115 PolarHBondContact O-N 3.24Å; K111-K115 VanDerWaalsContact O-N 3.1Å; V112-K115 PolarHBondContact O-N 3.08Å; K115-C117 PolarHBondContact O-N 3.41Å; K115-A118 PolarHBondContact O-N 3.28Å; K115-A118 VanDerWaalsContact O-N 3.1Å; K115-E119 PolarHBondContact O-N 3.47Å
116T44Very low42.7Very low74 Ų74117.4 Ų117.445%0.45462%0.616SS.*Hα-helixtrans-66.1-25.1175.450.90000112.5V112 E113 I120V112-T116 WeakPolarHBondContact O-CG2 3.47Å; V112-T116 PolarHBondContact O-N 3.47Å; V112-T116 VanDerWaalsContact O-N 3.08Å; V112-T116 PolarHBondContact O-OG1 3.43Å; V112-T116 VanDerWaalsContact O-OG1 3.08Å; E113-T116 WeakPolarHBondContact CA-OG1 3.11Å; E113-T116 PolarHBondContact O-OG1 3.03Å; T116-I120 VanDerWaalsContact O-CD1 3.23Å; T116-I120 WeakPolarHBondContact O-CD1 3.37Å; T116-I120 VanDerWaalsContact O-CG1 3.22Å; T116-I120 WeakPolarHBondContact O-CG1 3.19Å
117C39.2Very low43.5Very low90 Ų90122 Ų12261%0.60862%0.62SS**Hα-helixtrans-80.6-17.3173.4-64.70000114.2E113 K115E113-C117 PolarHBondContact O-N 3.26Å; E113-C117 PolarHBondContact O-SG 3.29Å; K115-C117 PolarHBondContact O-N 3.41Å
118A44.8Very low44Very low83 Ų83123.1 Ų123.169%0.68662%0.623SS**Hα-helixtrans-92-23-17900000113.4A114 K115A114-A118 PolarHBondContact O-N 3.38Å; K115-A118 PolarHBondContact O-N 3.28Å; K115-A118 VanDerWaalsContact O-N 3.1Å
119E44.5Very low44.8Very low165 Ų165128.1 Ų128.177%0.77164%0.64SS**Hα-helixtrans-96.6-9.5179.5-68.1175.8178.200113.3K115K115-E119 PolarHBondContact O-N 3.47Å
120I43.4Very low45.7Very low103 Ų103130.8 Ų130.853%0.52865%0.65SS.*SBendtrans-90.3106.6165.5-53.7166000105.8T116 V122T116-I120 VanDerWaalsContact O-CD1 3.23Å; T116-I120 WeakPolarHBondContact O-CD1 3.37Å; T116-I120 VanDerWaalsContact O-CG1 3.22Å; T116-I120 WeakPolarHBondContact O-CG1 3.19Å; I120-V122 HydrophobicContact CG2-CB 4.48Å; I120-V122 HydrophobicContact CG2-CG1 3.67Å; I120-V122 PolarHBondContact O-N 3.21Å
121E38.9Very low47.2Very low191 Ų191126.7 Ų126.789%0.89364%0.64SS**  trans-63.368.2162.6-67.6-172.1167.900109.3N123E121-N123 PolarHBondContact O-N 2.9Å
122V44.5Very low48.7Very low78 Ų78124.2 Ų124.247%0.47363%0.632SS.*  trans-68.692164.1-85.40000105.7I120 F124I120-V122 HydrophobicContact CG2-CB 4.48Å; I120-V122 HydrophobicContact CG2-CG1 3.67Å; I120-V122 PolarHBondContact O-N 3.21Å; V122-F124 HydrophobicContact CB-CD2 4.37Å; V122-F124 HydrophobicContact CB-CE2 4.11Å; V122-F124 HydrophobicContact CB-CZ 4.49Å; V122-F124 HydrophobicContact CG2-CD2 3.99Å; V122-F124 HydrophobicContact CG2-CE2 3.36Å; V122-F124 HydrophobicContact CG2-CZ 3.87Å; V122-F124 WeakPolarHBondContact O-CD2 3.38Å; V122-F124 PolarHBondContact O-N 3.36Å
123N42.3Very low50.2Low87 Ų87119.7 Ų119.747%0.46561%0.605SS.*  trans-61.487170.2-169-37.9000108.1E121 D125 Q126E121-N123 PolarHBondContact O-N 2.9Å; N123-D125 PolarHBondContact O-N 3Å; N123-D125 WeakPolarHBondContact OD1-CA 3.18Å; N123-D125 VanDerWaalsContact OD1-CB 3.31Å; N123-D125 WeakPolarHBondContact OD1-CB 3.34Å; N123-D125 PolarHBondContact OD1-N 3.23Å; N123-Q126 HydrophobicContact CB-CG 4.02Å; N123-Q126 PolarHBondContact O-N 3.37Å; N123-Q126 PolarHBondContact OD1-N 3.32Å
124F49.9Very low52.1Low161 Ų161119.6 Ų119.671%0.70661%0.605SS**G310 helixtrans-60.8-15.5178.6-78.1-83.5000112.1V122V122-F124 HydrophobicContact CB-CD2 4.37Å; V122-F124 HydrophobicContact CB-CE2 4.11Å; V122-F124 HydrophobicContact CB-CZ 4.49Å; V122-F124 HydrophobicContact CG2-CD2 3.99Å; V122-F124 HydrophobicContact CG2-CE2 3.36Å; V122-F124 HydrophobicContact CG2-CZ 3.87Å; V122-F124 WeakPolarHBondContact O-CD2 3.38Å; V122-F124 PolarHBondContact O-N 3.36Å
125D55.2Low53.5Low160 Ų160121.5 Ų121.586%0.85660%0.603SS**G310 helixtrans-81.5-6.4174.1-78.5-28000114N123 R127N123-D125 PolarHBondContact O-N 3Å; N123-D125 WeakPolarHBondContact OD1-CA 3.18Å; N123-D125 VanDerWaalsContact OD1-CB 3.31Å; N123-D125 WeakPolarHBondContact OD1-CB 3.34Å; N123-D125 PolarHBondContact OD1-N 3.23Å; D125-R127 PolarHBondContact O-N 2.83Å
126Q50.4Low55.2Low147 Ų147116.3 Ų116.369%0.68758%0.584SS**G310 helixtrans-86.218.4168.7-70.4-176.120.900113.6N123 P128N123-Q126 HydrophobicContact CB-CG 4.02Å; N123-Q126 PolarHBondContact O-N 3.37Å; N123-Q126 PolarHBondContact OD1-N 3.32Å; Q126-P128 VanDerWaalsContact O-CD 3.31Å; Q126-P128 WeakPolarHBondContact O-CD 3.06Å
127R52.5Low56.8Low189 Ų189118.7 Ų118.771%0.71359%0.594SS**SBendtrans-58.8116.4170.1-155.1-178.4-80-168.7-6.2107.1D125 K129D125-R127 PolarHBondContact O-N 2.83Å; R127-K129 PolarHBondContact O-N 3.28Å; R127-K129 VanDerWaalsContact O-N 3.13Å
128P48.9Very low58.6Low76 Ų76115.6 Ų115.649%0.49458%0.577SS.*  trans-53.8126.4-168.715.1-27.9000109.8Q126 K130 I132Q126-P128 VanDerWaalsContact O-CD 3.31Å; Q126-P128 WeakPolarHBondContact O-CD 3.06Å; P128-K130 PolarHBondContact O-N 3.13Å; P128-I132 HydrophobicContact CB-CB 4.39Å; P128-I132 HydrophobicContact CB-CD1 3.51Å; P128-I132 HydrophobicContact CB-CG1 3.97Å; P128-I132 HydrophobicContact CG-CB 4.29Å; P128-I132 HydrophobicContact CG-CD1 4.08Å; P128-I132 HydrophobicContact CG-CG1 4.41Å
129K56.9Low60.5Low205 Ų205116.9 Ų116.989%0.89158%0.576SS**  trans-53.4102.9-175.4-79.9176.5177.1172.70109.8R127 D131R127-K129 PolarHBondContact O-N 3.28Å; R127-K129 VanDerWaalsContact O-N 3.13Å; K129-D131 PolarHBondContact O-N 3.02Å
130K59Low62.3Low202 Ų202112 Ų11288%0.87857%0.57SS**SBendtrans59.9-6.8152.9-98177.5178.5177.90123.1P128P128-K130 PolarHBondContact O-N 3.13Å
131D67.4Low64.1Low97 Ų97109.2 Ų109.252%0.51956%0.555SS.*  trans-138.617.7-178.5-74.3-48.8000116.3K129 T139 G140K129-D131 PolarHBondContact O-N 3.02Å; D131-T139 CarbonylContact O-C 3.24Å; D131-T139 VanDerWaalsContact O-C 3.24Å; D131-T139 WeakPolarHBondContact O-CA 2.86Å; D131-G140 PolarHBondContact O-N 2.96Å
132I74.2Confident66Low74 Ų74102.9 Ų102.938%0.37953%0.531SS..BIsolated β-bridgetrans-98.8125.7175.7-49.3-170.5000111P128 G138 T139P128-I132 HydrophobicContact CB-CB 4.39Å; P128-I132 HydrophobicContact CB-CD1 3.51Å; P128-I132 HydrophobicContact CB-CG1 3.97Å; P128-I132 HydrophobicContact CG-CB 4.29Å; P128-I132 HydrophobicContact CG-CD1 4.08Å; P128-I132 HydrophobicContact CG-CG1 4.41Å; I132-G138 WeakPolarHBondContact CA-O 3.44Å; I132-T139 HydrophobicContact CG1-CG2 4.16Å
133C77.4Confident67.5Low0 Ų0102.3 Ų102.30%052%0.524CS..  trans-71.7124.9174.5172.70000111.5F135 C136 N137 G138 H141 C146C133-F135 PolarHBondContact O-N 2.92Å; C133-F135 PolarHBondContact SG-N 3.08Å; C133-C136 PolarHBondContact SG-N 3.43Å; C133-N137 WeakPolarHBondContact O-CA 3.31Å; C133-N137 PolarHBondContact O-N 3.27Å; C133-G138 WeakPolarHBondContact CB-O 3.42Å; C133-G138 PolarHBondContact N-O 3.41Å; C133-H141 WeakPolarHBondContact CB-NE2 3.4Å; C133-H141 PolarHBondContact N-O 3.44Å; C133-H141 PolarHBondContact SG-NE2 3.28Å; C133-H141 VanDerWaalsContact SG-NE2 3.42Å; C133-C146 WeakPolarHBondContact SG-CB 3.46Å; C133-C146 PolarHBondContact SG-SG 3.3Å
134Q76.5Confident68.9Low134 Ų134106.4 Ų106.463%0.62653%0.533SS*.THydrogen-bonded Turntrans-71.5-9.6179.3-64.3178.7-14.400115H143Q134-H143 HydrophobicContact CB-CB 4.32Å
135F71.1Confident69.9Low95 Ų95102.5 Ų102.542%0.41753%0.525SS..THydrogen-bonded Turntrans-95.9-49.7179.2-179.9-91.1000112.3C133 Q148 L149C133-F135 PolarHBondContact O-N 2.92Å; C133-F135 PolarHBondContact SG-N 3.08Å; F135-Q148 HydrophobicContact CD1-CB 4.35Å; F135-Q148 HydrophobicContact CE1-CB 4.19Å; F135-Q148 WeakPolarHBondContact CE1-O 3.03Å; F135-L149 HydrophobicContact CB-CD2 3.81Å; F135-L149 HydrophobicContact CB-CG 4.31Å; F135-L149 HydrophobicContact CD1-CD2 3.83Å; F135-L149 HydrophobicContact CD1-CG 4.07Å; F135-L149 HydrophobicContact CD2-CD2 3.32Å; F135-L149 HydrophobicContact CD2-CG 4.4Å; F135-L149 HydrophobicContact CE1-CD2 4.25Å; F135-L149 HydrophobicContact CE2-CD2 3.77Å; F135-L149 HydrophobicContact CG-CD2 3.35Å; F135-L149 HydrophobicContact CG-CG 4Å; F135-L149 HydrophobicContact CZ-CD2 4.21Å
136C79.3Confident70.9Confident32 Ų3295.3 Ų95.322%0.21649%0.487CS..THydrogen-bonded Turntrans-104.8-3.2-178.1690000114.7C133 G138 H141 C146 Q148C133-C136 PolarHBondContact SG-N 3.43Å; C136-G138 PolarHBondContact O-N 3.32Å; C136-G138 PolarHBondContact SG-N 3.01Å; C136-H141 PolarHBondContact SG-CE1 2.96Å; C136-H141 PolarHBondContact SG-NE2 3.07Å; C136-C146 PolarHBondContact SG-SG 3.07Å; C136-Q148 HydrophobicContact CB-CB 4.14Å; C136-Q148 HydrophobicContact CB-CG 4.31Å
137N76.6Confident72Confident124 Ų12497.7 Ų97.766%0.66350%0.499SS*.  trans5712.1-171.5-63.4-20.4000115.1C133C133-N137 WeakPolarHBondContact O-CA 3.31Å; C133-N137 PolarHBondContact O-N 3.27Å
138G77.5Confident72.7Confident24 Ų2494.6 Ų94.625%0.24749%0.492CS..  trans-73151.6174.300000112I132 C133 C136I132-G138 WeakPolarHBondContact CA-O 3.44Å; C133-G138 WeakPolarHBondContact CB-O 3.42Å; C133-G138 PolarHBondContact N-O 3.41Å; C136-G138 PolarHBondContact O-N 3.32Å; C136-G138 PolarHBondContact SG-N 3.01Å
139T84.4Confident73.7Confident110 Ų11091.7 Ų91.768%0.67547%0.472SS*.BIsolated β-bridgetrans-88.4167.2175.654.80000111.7D131 I132 H141D131-T139 CarbonylContact O-C 3.24Å; D131-T139 VanDerWaalsContact O-C 3.24Å; D131-T139 WeakPolarHBondContact O-CA 2.86Å; I132-T139 HydrophobicContact CG1-CG2 4.16Å; T139-H141 VanDerWaalsContact C-N 3.32Å; T139-H141 PolarHBondContact O-N 3.04Å; T139-H141 PolarHBondContact O-ND1 3.49Å
140G81.9Confident74.3Confident62 Ų6290 Ų9064%0.63947%0.465SS*.SBendtrans78.76.5172.400000115.6D131D131-G140 PolarHBondContact O-N 2.96Å
141H81.5Confident75.1Confident45 Ų4583.4 Ų83.421%0.20844%0.439CS..SBendtrans-153148.7175.467.8-80.1000111.9C133 C136 T139 C146C133-H141 WeakPolarHBondContact CB-NE2 3.4Å; C133-H141 PolarHBondContact N-O 3.44Å; C133-H141 PolarHBondContact SG-NE2 3.28Å; C133-H141 VanDerWaalsContact SG-NE2 3.42Å; C136-H141 PolarHBondContact SG-CE1 2.96Å; C136-H141 PolarHBondContact SG-NE2 3.07Å; T139-H141 VanDerWaalsContact C-N 3.32Å; T139-H141 PolarHBondContact O-N 3.04Å; T139-H141 PolarHBondContact O-ND1 3.49Å; H141-C146 WeakPolarHBondContact CD2-CA 3.48Å; H141-C146 WeakPolarHBondContact NE2-CA 3.45Å; H141-C146 WeakPolarHBondContact NE2-CB 3.41Å; H141-C146 PolarHBondContact NE2-SG 3.25Å; H141-C146 VanDerWaalsContact NE2-SG 3.38Å
142S79.5Confident75.9Confident58 Ų5885.2 Ų85.241%0.40644%0.442SS..  trans-76.4163.7172.978.50000111.2R144 S145 C146S142-R144 PolarHBondContact O-N 2.75Å; S142-R144 WeakPolarHBondContact OG-CB 3.26Å; S142-R144 PolarHBondContact OG-N 2.95Å; S142-S145 PolarHBondContact O-N 3.18Å; S142-C146 PolarHBondContact O-N 2.68Å
143H74.9Confident76.6Confident67 Ų6781.8 Ų81.831%0.3143%0.425SS..G310 helixtrans-44.7-41.4168.2177.5-148.4000111.2Q134 S145 C146 L149Q134-H143 HydrophobicContact CB-CB 4.32Å; H143-S145 VanDerWaalsContact C-N 3.25Å; H143-S145 PolarHBondContact O-N 2.86Å; H143-C146 WeakPolarHBondContact O-CB 3.49Å; H143-C146 PolarHBondContact O-N 3.43Å; H143-L149 WeakPolarHBondContact NE2-CD2 3.33Å; H143-L149 WeakPolarHBondContact O-CD1 3.1Å
144R71.6Confident77.3Confident173 Ų17389.9 Ų89.965%0.65346%0.457SS*.G310 helixtrans-65.7-22.1-179.1-51.7-174.8-176-152.1-0.8114.9S142S142-R144 PolarHBondContact O-N 2.75Å; S142-R144 WeakPolarHBondContact OG-CB 3.26Å; S142-R144 PolarHBondContact OG-N 2.95Å
145S71.6Confident77.9Confident79 Ų7986.4 Ų86.455%0.55244%0.441SS*.G310 helixtrans-108.810.5-174.2-55.60000112.2S142 H143 Q147S142-S145 PolarHBondContact O-N 3.18Å; H143-S145 VanDerWaalsContact C-N 3.25Å; H143-S145 PolarHBondContact O-N 2.86Å; S145-Q147 PolarHBondContact O-N 2.85Å
146C75.8Confident78.9Confident9 Ų982.9 Ų82.96%0.06143%0.429CS..  trans-76112.7-176.1-176.10000111.4C133 C136 H141 S142 H143 Q148 L149C133-C146 WeakPolarHBondContact SG-CB 3.46Å; C133-C146 PolarHBondContact SG-SG 3.3Å; C136-C146 PolarHBondContact SG-SG 3.07Å; H141-C146 WeakPolarHBondContact CD2-CA 3.48Å; H141-C146 WeakPolarHBondContact NE2-CA 3.45Å; H141-C146 WeakPolarHBondContact NE2-CB 3.41Å; H141-C146 PolarHBondContact NE2-SG 3.25Å; H141-C146 VanDerWaalsContact NE2-SG 3.38Å; S142-C146 PolarHBondContact O-N 2.68Å; H143-C146 WeakPolarHBondContact O-CB 3.49Å; H143-C146 PolarHBondContact O-N 3.43Å; C146-Q148 PolarHBondContact O-N 2.83Å; C146-Q148 PolarHBondContact SG-N 3.44Å; C146-L149 HydrophobicContact CB-CD1 3.82Å; C146-L149 HydrophobicContact CB-CG 3.77Å; C146-L149 VanDerWaalsContact O-CB 3.3Å; C146-L149 WeakPolarHBondContact O-CB 3.31Å; C146-L149 PolarHBondContact O-N 3.29Å
147Q74.2Confident79.4Confident197 Ų19782.9 Ų82.992%0.92143%0.434SS*.THydrogen-bonded Turntrans-63.6-21.4175.6-63.8-179.4-4.600112.7S145 L149S145-Q147 PolarHBondContact O-N 2.85Å; Q147-L149 VanDerWaalsContact C-N 3.29Å
148Q67.7Low80Confident123 Ų12380.5 Ų80.558%0.57542%0.424SS*.THydrogen-bonded Turntrans-80.6-7.5175.6-63.5-167.5-1200113.4F135 C136 C146 K150F135-Q148 HydrophobicContact CD1-CB 4.35Å; F135-Q148 HydrophobicContact CE1-CB 4.19Å; F135-Q148 WeakPolarHBondContact CE1-O 3.03Å; C136-Q148 HydrophobicContact CB-CB 4.14Å; C136-Q148 HydrophobicContact CB-CG 4.31Å; C146-Q148 PolarHBondContact O-N 2.83Å; C146-Q148 PolarHBondContact SG-N 3.44Å; Q148-K150 PolarHBondContact O-N 3.09Å
149L69.3Low80.3Confident16 Ų1687.2 Ų87.28%0.08444%0.442CS..  trans-64.583171.9-77.4167.7000109.9F135 H143 C146 Q147 L151F135-L149 HydrophobicContact CB-CD2 3.81Å; F135-L149 HydrophobicContact CB-CG 4.31Å; F135-L149 HydrophobicContact CD1-CD2 3.83Å; F135-L149 HydrophobicContact CD1-CG 4.07Å; F135-L149 HydrophobicContact CD2-CD2 3.32Å; F135-L149 HydrophobicContact CD2-CG 4.4Å; F135-L149 HydrophobicContact CE1-CD2 4.25Å; F135-L149 HydrophobicContact CE2-CD2 3.77Å; F135-L149 HydrophobicContact CG-CD2 3.35Å; F135-L149 HydrophobicContact CG-CG 4Å; F135-L149 HydrophobicContact CZ-CD2 4.21Å; H143-L149 WeakPolarHBondContact NE2-CD2 3.33Å; H143-L149 WeakPolarHBondContact O-CD1 3.1Å; C146-L149 HydrophobicContact CB-CD1 3.82Å; C146-L149 HydrophobicContact CB-CG 3.77Å; C146-L149 VanDerWaalsContact O-CB 3.3Å; C146-L149 WeakPolarHBondContact O-CB 3.31Å; C146-L149 PolarHBondContact O-N 3.29Å; Q147-L149 VanDerWaalsContact C-N 3.29Å; L149-L151 HydrophobicContact CB-CG 4.36Å; L149-L151 HydrophobicContact CD2-CD1 3.51Å; L149-L151 HydrophobicContact CD2-CG 3.64Å; L149-L151 HydrophobicContact CG-CD1 4.48Å; L149-L151 PolarHBondContact O-N 3Å
150K69.2Low80.2Confident169 Ų16985 Ų8574%0.73544%0.44SS*.  trans-72.562.8154.6-61.2-177.1-176.8179.30106.4Q148 W159Q148-K150 PolarHBondContact O-N 3.09Å; K150-W159 VanDerWaalsContact C-CE3 3.47Å; K150-W159 VanDerWaalsContact C-CZ3 3.46Å; K150-W159 HydrophobicContact CB-CE3 3.9Å; K150-W159 HydrophobicContact CB-CZ3 3.75Å; K150-W159 WeakPolarHBondContact O-CZ3 3.22Å
151L74.9Confident80.3Confident63 Ų6384 Ų8433%0.3342%0.419SS..PPolyproline II helixtrans-94.3124.8162.8-69.5-180000106.8L149 G160 P162L149-L151 HydrophobicContact CB-CG 4.36Å; L149-L151 HydrophobicContact CD2-CD1 3.51Å; L149-L151 HydrophobicContact CD2-CG 3.64Å; L149-L151 HydrophobicContact CG-CD1 4.48Å; L149-L151 PolarHBondContact O-N 3Å; L151-G160 PolarHBondContact O-N 2.94Å; L151-P162 HydrophobicContact CD1-CB 4.38Å
152K84.5Confident80.4Confident136 Ų13682.7 Ų82.759%0.59142%0.415SS*.BIsolated β-bridgetrans-79.7123.3166.7-169.2178.8-179.1-176.90107.4Y154 G157 W159K152-Y154 PolarHBondContact O-N 3.33Å; K152-G157 WeakPolarHBondContact CE-O 3.13Å; K152-G157 VanDerWaalsContact CG-O 3.31Å; K152-G157 WeakPolarHBondContact CG-O 3.31Å; K152-W159 HydrophobicContact CB-CD2 4.28Å; K152-W159 HydrophobicContact CB-CE3 4.09Å; K152-W159 HydrophobicContact CB-CH2 4.21Å; K152-W159 HydrophobicContact CB-CZ2 4.37Å; K152-W159 HydrophobicContact CB-CZ3 4.05Å
153C89.3Confident80.7Confident2 Ų280 Ų801%0.01440%0.396CS..PPolyproline II helixtrans-61.4125176.9175.70000110.1I155 C156 G157 T158 H161 G163C153-I155 PolarHBondContact O-N 3.25Å; C153-I155 PolarHBondContact SG-N 3.02Å; C153-C156 WeakPolarHBondContact CB-SG 3.15Å; C153-C156 PolarHBondContact SG-N 3.47Å; C153-C156 VanDerWaalsContact SG-N 3.37Å; C153-C156 PolarHBondContact SG-SG 3.2Å; C153-G157 WeakPolarHBondContact O-CA 3.47Å; C153-G157 PolarHBondContact O-N 3.23Å; C153-T158 WeakPolarHBondContact CB-O 3.23Å; C153-T158 PolarHBondContact N-O 3.35Å; C153-H161 WeakPolarHBondContact CB-NE2 3.45Å; C153-H161 WeakPolarHBondContact CB-O 3.07Å; C153-H161 PolarHBondContact SG-NE2 3.1Å; C153-G163 VanDerWaalsContact SG-CA 3.59Å
154Y91.6Very high81.1Confident170 Ų17080.8 Ų80.867%0.66740%0.397SS*.THydrogen-bonded Turntrans-72.4-5.8177.863.5-98.6000113.6K152K152-Y154 PolarHBondContact O-N 3.33Å
155I90.6Very high81.7Confident60 Ų6075.8 Ų75.831%0.30838%0.382SS..THydrogen-bonded Turntrans-99.5-53.9178.1-56.5-173.1000111.2C153 G163 C166 M168 R169C153-I155 PolarHBondContact O-N 3.25Å; C153-I155 PolarHBondContact SG-N 3.02Å; I155-G163 WeakPolarHBondContact CD1-O 3.49Å; I155-C166 HydrophobicContact CB-CB 4.08Å; I155-C166 HydrophobicContact CD1-CB 4.1Å; I155-C166 HydrophobicContact CG1-CB 4.48Å; I155-C166 HydrophobicContact CG2-CB 4.42Å; I155-M168 HydrophobicContact CG2-CB 4.31Å; I155-M168 WeakPolarHBondContact CG2-O 3.27Å; I155-R169 HydrophobicContact CD1-CB 3.83Å; I155-R169 HydrophobicContact CD1-CG 3.89Å
156C91.2Very high82.4Confident22 Ų2272.1 Ų72.115%0.14936%0.357CS..THydrogen-bonded Turntrans-102.5-10.8-176.566.50000114.5C153 T158 H161 M168C153-C156 WeakPolarHBondContact CB-SG 3.15Å; C153-C156 PolarHBondContact SG-N 3.47Å; C153-C156 VanDerWaalsContact SG-N 3.37Å; C153-C156 PolarHBondContact SG-SG 3.2Å; C156-T158 PolarHBondContact O-N 3.23Å; C156-T158 PolarHBondContact SG-N 3.26Å; C156-T158 PolarHBondContact SG-OG1 3.31Å; C156-H161 PolarHBondContact SG-CE1 3.08Å; C156-H161 PolarHBondContact SG-NE2 3.1Å; C156-M168 VanDerWaalsContact CA-CE 3.41Å; C156-M168 HydrophobicContact CB-CB 4.45Å; C156-M168 HydrophobicContact CB-CE 3.14Å; C156-M168 HydrophobicContact CB-CG 4.2Å; C156-M168 HydrophobicContact CB-SD 4.28Å
157G90Very high83Confident31 Ų3179.9 Ų79.932%0.3239%0.392SS..  trans72.60.5-177.900000115.4K152 C153K152-G157 WeakPolarHBondContact CE-O 3.13Å; K152-G157 VanDerWaalsContact CG-O 3.31Å; K152-G157 WeakPolarHBondContact CG-O 3.31Å; C153-G157 WeakPolarHBondContact O-CA 3.47Å; C153-G157 PolarHBondContact O-N 3.23Å
158T88.2Confident83.6Confident74 Ų7473.5 Ų73.545%0.45436%0.363SS..  trans-85.5157.9175.871.30000111.6C153 C156 H161C153-T158 WeakPolarHBondContact CB-O 3.23Å; C153-T158 PolarHBondContact N-O 3.35Å; C156-T158 PolarHBondContact O-N 3.23Å; C156-T158 PolarHBondContact SG-N 3.26Å; C156-T158 PolarHBondContact SG-OG1 3.31Å; T158-H161 PolarHBondContact OG1-CE1 3.31Å; T158-H161 VanDerWaalsContact OG1-CE1 3.23Å
159W85.2Confident84.7Confident165 Ų16571.1 Ų71.163%0.62535%0.349SS*.BIsolated β-bridgetrans-86.8160.5177.6-60.991.7000111.1K150 K152K150-W159 VanDerWaalsContact C-CE3 3.47Å; K150-W159 VanDerWaalsContact C-CZ3 3.46Å; K150-W159 HydrophobicContact CB-CE3 3.9Å; K150-W159 HydrophobicContact CB-CZ3 3.75Å; K150-W159 WeakPolarHBondContact O-CZ3 3.22Å; K152-W159 HydrophobicContact CB-CD2 4.28Å; K152-W159 HydrophobicContact CB-CE3 4.09Å; K152-W159 HydrophobicContact CB-CH2 4.21Å; K152-W159 HydrophobicContact CB-CZ2 4.37Å; K152-W159 HydrophobicContact CB-CZ3 4.05Å
160G82.1Confident85.6Confident63 Ų6371.9 Ų71.965%0.64936%0.358SS*.SBendtrans98.7-1.4169.400000115.3L151L151-G160 PolarHBondContact O-N 2.94Å
161H82.8Confident86.5Confident41 Ų4163.9 Ų63.919%0.1932%0.323CS..SBendtrans-149.4146.516964.9-85.7000112.4C153 C156 T158 L165 C166C153-H161 WeakPolarHBondContact CB-NE2 3.45Å; C153-H161 WeakPolarHBondContact CB-O 3.07Å; C153-H161 PolarHBondContact SG-NE2 3.1Å; C156-H161 PolarHBondContact SG-CE1 3.08Å; C156-H161 PolarHBondContact SG-NE2 3.1Å; T158-H161 PolarHBondContact OG1-CE1 3.31Å; T158-H161 VanDerWaalsContact OG1-CE1 3.23Å; H161-L165 HydrophobicContact CB-CB 4.37Å; H161-C166 VanDerWaalsContact CD2-CA 3.45Å; H161-C166 WeakPolarHBondContact CD2-CA 2.94Å; H161-C166 WeakPolarHBondContact NE2-CA 3.37Å
162P83.5Confident86.9Confident19 Ų1965 Ų6512%0.12333%0.329CS..  trans-73.4154.2168.732.3-35.2000110.4L151 Y164 L165 C166L151-P162 HydrophobicContact CD1-CB 4.38Å; P162-Y164 HydrophobicContact CB-CD1 3.66Å; P162-Y164 HydrophobicContact CB-CE1 3.38Å; P162-Y164 HydrophobicContact CG-CD1 3.73Å; P162-Y164 HydrophobicContact CG-CE1 3.17Å; P162-Y164 HydrophobicContact CG-CE2 4.15Å; P162-Y164 HydrophobicContact CG-CG 4.39Å; P162-Y164 PolarHBondContact O-N 3.47Å; P162-L165 HydrophobicContact CG-CB 4.32Å; P162-L165 HydrophobicContact CG-CD1 3.96Å; P162-L165 HydrophobicContact CG-CG 4.07Å; P162-L165 PolarHBondContact O-N 3.08Å; P162-C166 PolarHBondContact O-N 2.96Å
163G86.1Confident86.8Confident0 Ų059.3 Ų59.30%031%0.305CS..G310 helixtrans-59.5-22.1-175.300000115C153 I155 L165 C166C153-G163 VanDerWaalsContact SG-CA 3.59Å; I155-G163 WeakPolarHBondContact CD1-O 3.49Å; G163-L165 VanDerWaalsContact C-N 3.26Å; G163-L165 PolarHBondContact O-N 3.14Å; G163-C166 VanDerWaalsContact O-CB 3.26Å; G163-C166 WeakPolarHBondContact O-CB 3.29Å; G163-C166 PolarHBondContact O-N 3.43Å
164Y83.6Confident86.6Confident84 Ų8459.5 Ų59.533%0.32931%0.306SS..G310 helixtrans-72.2-17.1174.571.4-94.3000114.8P162 R169P162-Y164 HydrophobicContact CB-CD1 3.66Å; P162-Y164 HydrophobicContact CB-CE1 3.38Å; P162-Y164 HydrophobicContact CG-CD1 3.73Å; P162-Y164 HydrophobicContact CG-CE1 3.17Å; P162-Y164 HydrophobicContact CG-CE2 4.15Å; P162-Y164 HydrophobicContact CG-CG 4.39Å; P162-Y164 PolarHBondContact O-N 3.47Å; Y164-R169 VanDerWaalsContact CA-NH1 3.28Å; Y164-R169 VanDerWaalsContact CB-NH1 3.33Å
165L83.7Confident86.3Confident68 Ų6855.1 Ų55.136%0.35629%0.291SS..G310 helixtrans-102.25.5172.2-63.4179.1000112.6H161 P162 G163 E167H161-L165 HydrophobicContact CB-CB 4.37Å; P162-L165 HydrophobicContact CG-CB 4.32Å; P162-L165 HydrophobicContact CG-CD1 3.96Å; P162-L165 HydrophobicContact CG-CG 4.07Å; P162-L165 PolarHBondContact O-N 3.08Å; G163-L165 VanDerWaalsContact C-N 3.26Å; G163-L165 PolarHBondContact O-N 3.14Å; L165-E167 PolarHBondContact O-N 3.42Å
166C87.8Confident86Confident3 Ų355 Ų552%0.0229%0.293CS..  trans-66.9128.5-179.9-174.50000111.1I155 H161 P162 G163 M168 R169I155-C166 HydrophobicContact CB-CB 4.08Å; I155-C166 HydrophobicContact CD1-CB 4.1Å; I155-C166 HydrophobicContact CG1-CB 4.48Å; I155-C166 HydrophobicContact CG2-CB 4.42Å; H161-C166 VanDerWaalsContact CD2-CA 3.45Å; H161-C166 WeakPolarHBondContact CD2-CA 2.94Å; H161-C166 WeakPolarHBondContact NE2-CA 3.37Å; P162-C166 PolarHBondContact O-N 2.96Å; G163-C166 VanDerWaalsContact O-CB 3.26Å; G163-C166 WeakPolarHBondContact O-CB 3.29Å; G163-C166 PolarHBondContact O-N 3.43Å; C166-M168 PolarHBondContact O-N 3.28Å; C166-M168 PolarHBondContact SG-N 3.37Å; C166-R169 HydrophobicContact CB-CB 4.29Å; C166-R169 WeakPolarHBondContact O-CB 3.39Å; C166-R169 PolarHBondContact O-N 3.08Å
167E86.4Confident85.9Confident171 Ų17159.8 Ų59.880%0.79931%0.311SS*.THydrogen-bonded Turntrans-65.1-28.4172.9-63.8178176.700112L165 R169L165-E167 PolarHBondContact O-N 3.42Å; E167-R169 PolarHBondContact O-N 3.22Å
168M88.7Confident85.7Confident64 Ų6461.6 Ų61.632%0.31533%0.33SS..THydrogen-bonded Turntrans-81.914.1171.8-48.3-150.1-56.300113P38 I155 C156 C166 F177P38-M168 HydrophobicContact CG-SD 4.29Å; I155-M168 HydrophobicContact CG2-CB 4.31Å; I155-M168 WeakPolarHBondContact CG2-O 3.27Å; C156-M168 VanDerWaalsContact CA-CE 3.41Å; C156-M168 HydrophobicContact CB-CB 4.45Å; C156-M168 HydrophobicContact CB-CE 3.14Å; C156-M168 HydrophobicContact CB-CG 4.2Å; C156-M168 HydrophobicContact CB-SD 4.28Å; C166-M168 PolarHBondContact O-N 3.28Å; C166-M168 PolarHBondContact SG-N 3.37Å; M168-F177 WeakPolarHBondContact O-CD1 3.48Å; M168-F177 WeakPolarHBondContact O-CE1 3.41Å
169R89.8Confident85.8Confident72 Ų7259.9 Ų59.927%0.27232%0.317SS..PPolyproline II helixtrans-74.9130.6172.5-178.8176.8177.5146.912.3109.7I155 Y164 C166 E167I155-R169 HydrophobicContact CD1-CB 3.83Å; I155-R169 HydrophobicContact CD1-CG 3.89Å; Y164-R169 VanDerWaalsContact CA-NH1 3.28Å; Y164-R169 VanDerWaalsContact CB-NH1 3.33Å; C166-R169 HydrophobicContact CB-CB 4.29Å; C166-R169 WeakPolarHBondContact O-CB 3.39Å; C166-R169 PolarHBondContact O-N 3.08Å; E167-R169 PolarHBondContact O-N 3.22Å
170A88.6Confident85.9Confident33 Ų3356.4 Ų56.427%0.27331%0.306SS..PPolyproline II helixtrans-69.6139.9171.300000111.4L172 F177A170-L172 PolarHBondContact O-N 3.13Å; A170-F177 HydrophobicContact CB-CD1 4.15Å; A170-F177 HydrophobicContact CB-CE1 3.82Å; A170-F177 HydrophobicContact CB-CZ 4.32Å
171C87Confident86.1Confident1 Ų155.3 Ų55.31%0.00729%0.289CS..PPolyproline II helixtrans-60.3132.2172.9174.80000110.8I173 C174 F175 T176 H179C171-I173 PolarHBondContact O-N 3.11Å; C171-I173 PolarHBondContact SG-N 3.3Å; C171-I173 VanDerWaalsContact SG-N 3.4Å; C171-C174 HydrophobicContact CB-CB 4.27Å; C171-F175 WeakPolarHBondContact O-CA 3.32Å; C171-F175 PolarHBondContact O-N 3.42Å; C171-T176 WeakPolarHBondContact CB-O 3.39Å; C171-T176 PolarHBondContact N-O 2.76Å; C171-H179 VanDerWaalsContact CB-NE2 3.29Å; C171-H179 WeakPolarHBondContact CB-NE2 3.38Å; C171-H179 PolarHBondContact SG-NE2 3.38Å
172L83.5Confident86.3Confident85 Ų8558.5 Ų58.545%0.44532%0.316SS..THydrogen-bonded Turntrans-78-4.9-178.9-56.2-178.7000114A170 S181A170-L172 PolarHBondContact O-N 3.13Å; L172-S181 WeakPolarHBondContact CB-OG 3.3Å; L172-S181 PolarHBondContact N-OG 3.4Å; L172-S181 VanDerWaalsContact N-OG 3.07Å
173I84Confident86.5Confident18 Ų1865.2 Ų65.29%0.09234%0.343CS..THydrogen-bonded Turntrans-96.5-40.7176.4-64.6168.8000110.2C171 S181 C184 R188 I191C171-I173 PolarHBondContact O-N 3.11Å; C171-I173 PolarHBondContact SG-N 3.3Å; C171-I173 VanDerWaalsContact SG-N 3.4Å; I173-S181 WeakPolarHBondContact CD1-O 3.46Å; I173-C184 HydrophobicContact CB-CB 4.38Å; I173-C184 HydrophobicContact CD1-CB 3.84Å; I173-R188 HydrophobicContact CD1-CB 4.17Å; I173-R188 HydrophobicContact CG1-CB 4.34Å; I173-R188 HydrophobicContact CG1-CG 4.41Å; I173-R188 HydrophobicContact CG2-CB 4.34Å; I173-I191 HydrophobicContact CG2-CG1 4.32Å; I173-I191 WeakPolarHBondContact O-CG2 3.13Å
174C84.9Confident86.7Confident6 Ų666.3 Ų66.34%0.04135%0.35CS..THydrogen-bonded Turntrans-125.3-13.3-156.8110.10000111.3C171 T176 H179 C184 M186C171-C174 HydrophobicContact CB-CB 4.27Å; C174-T176 PolarHBondContact O-N 3.31Å; C174-T176 VanDerWaalsContact O-N 3.09Å; C174-T176 PolarHBondContact SG-N 3.42Å; C174-T176 VanDerWaalsContact SG-N 3.44Å; C174-T176 PolarHBondContact SG-OG1 2.96Å; C174-H179 PolarHBondContact SG-CE1 2.96Å; C174-H179 PolarHBondContact SG-NE2 3.42Å; C174-C184 VanDerWaalsContact CB-SG 3.55Å; C174-M186 HydrophobicContact CB-CE 3.36Å
175F83.7Confident87Confident78 Ų7867.7 Ų67.734%0.34237%0.37SS..  trans61.67.1178.1-54.1-73.7000116C171 F264 F266C171-F175 WeakPolarHBondContact O-CA 3.32Å; C171-F175 PolarHBondContact O-N 3.42Å; F175-F264 HydrophobicContact CE2-CD2 4.21Å; F175-F264 HydrophobicContact CZ-CD2 4.32Å; F175-F266 HydrophobicContact CE2-CZ 4.39Å
176T85.2Confident87Confident57 Ų5767 Ų6735%0.3537%0.366SS..  trans-90.5158.3171.376.50000112.3C171 C174 H179C171-T176 WeakPolarHBondContact CB-O 3.39Å; C171-T176 PolarHBondContact N-O 2.76Å; C174-T176 PolarHBondContact O-N 3.31Å; C174-T176 VanDerWaalsContact O-N 3.09Å; C174-T176 PolarHBondContact SG-N 3.42Å; C174-T176 VanDerWaalsContact SG-N 3.44Å; C174-T176 PolarHBondContact SG-OG1 2.96Å; T176-H179 PolarHBondContact OG1-CE1 3.29Å; T176-H179 VanDerWaalsContact OG1-CE1 3.29Å
177F88.6Confident86.9Confident122 Ų12269.3 Ų69.354%0.53538%0.381SS..SBendtrans-86.2169.4178.3-59.6-76.3000112M168 A170M168-F177 WeakPolarHBondContact O-CD1 3.48Å; M168-F177 WeakPolarHBondContact O-CE1 3.41Å; A170-F177 HydrophobicContact CB-CD1 4.15Å; A170-F177 HydrophobicContact CB-CE1 3.82Å; A170-F177 HydrophobicContact CB-CZ 4.32Å
178G86.4Confident86.7Confident70 Ų7065.2 Ų65.272%0.72236%0.359SS*.SBendtrans93.6-2.6172.400000115.6
179H89.5Confident86.4Confident38 Ų3865.8 Ų65.818%0.17637%0.369CS..SBendtrans-150.7152.8173.163.8-83.8000112.7C171 C174 T176 C184C171-H179 VanDerWaalsContact CB-NE2 3.29Å; C171-H179 WeakPolarHBondContact CB-NE2 3.38Å; C171-H179 PolarHBondContact SG-NE2 3.38Å; C174-H179 PolarHBondContact SG-CE1 2.96Å; C174-H179 PolarHBondContact SG-NE2 3.42Å; T176-H179 PolarHBondContact OG1-CE1 3.29Å; T176-H179 VanDerWaalsContact OG1-CE1 3.29Å; H179-C184 VanDerWaalsContact CD2-CA 3.41Å; H179-C184 WeakPolarHBondContact CD2-CA 3.42Å
180F87.4Confident86.1Confident91 Ų9166.9 Ų66.940%0.39938%0.38SS..  trans-77.7154.1169.4-61.6-76.8000110.7S182 K183 C184F180-S182 PolarHBondContact O-N 2.93Å; F180-K183 CarbonylContact O-C 3.48Å; F180-K183 WeakPolarHBondContact O-CA 3.48Å; F180-K183 PolarHBondContact O-N 3.11Å; F180-C184 PolarHBondContact O-N 3.21Å
181S87Confident85.9Confident40 Ų4065.5 Ų65.528%0.2837%0.368SS..G310 helixtrans-53.1-29176.7-51.70000113.6L172 I173 K183 C184L172-S181 WeakPolarHBondContact CB-OG 3.3Å; L172-S181 PolarHBondContact N-OG 3.4Å; L172-S181 VanDerWaalsContact N-OG 3.07Å; I173-S181 WeakPolarHBondContact CD1-O 3.46Å; S181-K183 VanDerWaalsContact C-N 3.27Å; S181-K183 PolarHBondContact O-N 3.3Å; S181-C184 WeakPolarHBondContact O-CB 3.38Å; S181-C184 PolarHBondContact O-N 3.06Å
182S86.3Confident85.7Confident109 Ų10967.9 Ų67.976%0.76238%0.377SS*.G310 helixtrans-68.7-21.5175.953.30000114.3F180F180-S182 PolarHBondContact O-N 2.93Å
183K89.2Confident85.8Confident160 Ų16071.7 Ų71.770%0.69639%0.39SS*.G310 helixtrans-114.721.9178.4-61.4-173.5178.1-176.50111.7F180 S181F180-K183 CarbonylContact O-C 3.48Å; F180-K183 WeakPolarHBondContact O-CA 3.48Å; F180-K183 PolarHBondContact O-N 3.11Å; S181-K183 VanDerWaalsContact C-N 3.27Å; S181-K183 PolarHBondContact O-N 3.3Å
184C89.7Confident85.9Confident22 Ų2278 Ų7815%0.14941%0.413CS..  trans-67.5124.3179.3-179.60000110.3I173 C174 H179 F180 S181 M186I173-C184 HydrophobicContact CB-CB 4.38Å; I173-C184 HydrophobicContact CD1-CB 3.84Å; C174-C184 VanDerWaalsContact CB-SG 3.55Å; H179-C184 VanDerWaalsContact CD2-CA 3.41Å; H179-C184 WeakPolarHBondContact CD2-CA 3.42Å; F180-C184 PolarHBondContact O-N 3.21Å; S181-C184 WeakPolarHBondContact O-CB 3.38Å; S181-C184 PolarHBondContact O-N 3.06Å; C184-M186 PolarHBondContact O-N 3.11Å; C184-M186 PolarHBondContact SG-N 3.3Å; C184-M186 VanDerWaalsContact SG-N 3.42Å; C184-M186 PolarHBondContact SG-O 2.92Å
185P89.1Confident86.2Confident114 Ų11482.1 Ų82.174%0.7443%0.434SS*.SBendtrans-67.3-22.6177.628-34.5000111.9
186M85.3Confident86.6Confident54 Ų5478.6 Ų78.627%0.26642%0.419SS..SBendtrans-88.1129.3175.6-58.5-158.3-81.900110.7C174 C184 R188 I191 L205C174-M186 HydrophobicContact CB-CE 3.36Å; C184-M186 PolarHBondContact O-N 3.11Å; C184-M186 PolarHBondContact SG-N 3.3Å; C184-M186 VanDerWaalsContact SG-N 3.42Å; C184-M186 PolarHBondContact SG-O 2.92Å; M186-R188 PolarHBondContact O-N 2.82Å; M186-I191 HydrophobicContact CB-CG1 4.14Å; M186-I191 HydrophobicContact CE-CD1 4.03Å; M186-I191 HydrophobicContact SD-CD1 3.79Å; M186-I191 HydrophobicContact SD-CG1 4.4Å; M186-L205 HydrophobicContact CE-CD1 3.93Å; M186-L205 HydrophobicContact CE-CG 4.42Å; M186-L205 HydrophobicContact SD-CD1 4.12Å; M186-L205 HydrophobicContact SD-CD2 4.45Å
187S83.7Confident86.9Confident50 Ų5081.4 Ų81.435%0.3543%0.432SS..  trans-67.3136.2173.388.60000110S189 N190 I191S187-S189 VanDerWaalsContact C-N 3.25Å; S187-S189 PolarHBondContact O-N 3.27Å; S187-N190 PolarHBondContact O-N 3.07Å; S187-N190 VanDerWaalsContact O-N 3.1Å; S187-N190 VanDerWaalsContact OG-CB 3.23Å; S187-N190 WeakPolarHBondContact OG-CB 3.25Å; S187-N190 PolarHBondContact OG-N 3.39Å; S187-N190 PolarHBondContact OG-ND2 3.4Å; S187-I191 PolarHBondContact O-N 2.95Å
188R82.4Confident87Confident85 Ų8577.3 Ų77.332%0.32141%0.413SS..Hα-helixtrans-54.3-46.7175.2-173.5171.3162.978.312.5110.2I173 M186 N190 I191 Y192 N261 R262I173-R188 HydrophobicContact CD1-CB 4.17Å; I173-R188 HydrophobicContact CG1-CB 4.34Å; I173-R188 HydrophobicContact CG1-CG 4.41Å; I173-R188 HydrophobicContact CG2-CB 4.34Å; M186-R188 PolarHBondContact O-N 2.82Å; R188-N190 VanDerWaalsContact C-N 3.27Å; R188-N190 PolarHBondContact O-N 3.17Å; R188-I191 PolarHBondContact O-N 3.21Å; R188-Y192 HydrophobicContact CG-CD2 3.49Å; R188-Y192 VanDerWaalsContact CG-CD2 3.49Å; R188-Y192 HydrophobicContact CG-CE2 3.45Å; R188-Y192 VanDerWaalsContact CG-CE2 3.45Å; R188-Y192 HydrophobicContact CG-CG 4.44Å; R188-Y192 VanDerWaalsContact NH1-CE2 3.32Å; R188-Y192 VanDerWaalsContact NH1-CZ 3.3Å; R188-Y192 PolarHBondContact NH1-OH 2.95Å; R188-Y192 PolarHBondContact NH2-OH 2.96Å; R188-Y192 WeakPolarHBondContact O-CB 3.28Å; R188-Y192 WeakPolarHBondContact O-CD2 3.48Å; R188-Y192 PolarHBondContact O-N 3.41Å; R188-N261 PolarHBondContact NH2-O 3.08Å; R188-N261 VanDerWaalsContact NH2-O 3.1Å; R188-R262 PolarHBondContact NH1-O 3.34Å
189S83Confident87.2Confident76 Ų7674 Ų7453%0.53138%0.378SS..Hα-helixtrans-56.3-37.4177.9-55.50000113.8S187 K193S187-S189 VanDerWaalsContact C-N 3.25Å; S187-S189 PolarHBondContact O-N 3.27Å; S189-K193 WeakPolarHBondContact O-CG 3.45Å; S189-K193 PolarHBondContact O-N 3.02Å
190N84.3Confident87.2Confident96 Ų9678.1 Ų78.151%0.51340%0.398SS..Hα-helixtrans-67.6-48.9178.4-76.4-18.9000111.5S187 R188 Y192 K193 R194S187-N190 PolarHBondContact O-N 3.07Å; S187-N190 VanDerWaalsContact O-N 3.1Å; S187-N190 VanDerWaalsContact OG-CB 3.23Å; S187-N190 WeakPolarHBondContact OG-CB 3.25Å; S187-N190 PolarHBondContact OG-N 3.39Å; S187-N190 PolarHBondContact OG-ND2 3.4Å; R188-N190 VanDerWaalsContact C-N 3.27Å; R188-N190 PolarHBondContact O-N 3.17Å; N190-Y192 VanDerWaalsContact C-N 3.3Å; N190-Y192 PolarHBondContact O-N 3.47Å; N190-K193 PolarHBondContact O-N 3.33Å; N190-R194 WeakPolarHBondContact O-CG 3.32Å; N190-R194 PolarHBondContact O-N 3.42Å
191I84.5Confident87.3Confident4 Ų474.6 Ų74.62%0.02138%0.384CS..Hα-helixtrans-64-38.2178.5-65.3-63.1000111.2I173 M186 S187 R188 K193 R194 G203 L205 F264I173-I191 HydrophobicContact CG2-CG1 4.32Å; I173-I191 WeakPolarHBondContact O-CG2 3.13Å; M186-I191 HydrophobicContact CB-CG1 4.14Å; M186-I191 HydrophobicContact CE-CD1 4.03Å; M186-I191 HydrophobicContact SD-CD1 3.79Å; M186-I191 HydrophobicContact SD-CG1 4.4Å; S187-I191 PolarHBondContact O-N 2.95Å; R188-I191 PolarHBondContact O-N 3.21Å; I191-K193 VanDerWaalsContact C-N 3.31Å; I191-K193 PolarHBondContact O-N 2.82Å; I191-R194 PolarHBondContact O-N 3.1Å; I191-G203 WeakPolarHBondContact CG2-O 3.31Å; I191-G203 VanDerWaalsContact O-CA 3.3Å; I191-G203 WeakPolarHBondContact O-CA 3.25Å; I191-G203 PolarHBondContact O-N 3.34Å; I191-L205 HydrophobicContact CD1-CD2 3.87Å; I191-L205 HydrophobicContact CD1-CG 4.33Å; I191-F264 HydrophobicContact CG2-CE2 3.84Å; I191-F264 HydrophobicContact CG2-CZ 3.92Å
192Y81.4Confident87.3Confident50 Ų5079.8 Ų79.820%0.19640%0.398CS..Hα-helixtrans-65.2-30.8-179.1-87.7-108.3000114.3R188 N190 N261 R262 F264R188-Y192 HydrophobicContact CG-CD2 3.49Å; R188-Y192 VanDerWaalsContact CG-CD2 3.49Å; R188-Y192 HydrophobicContact CG-CE2 3.45Å; R188-Y192 VanDerWaalsContact CG-CE2 3.45Å; R188-Y192 HydrophobicContact CG-CG 4.44Å; R188-Y192 VanDerWaalsContact NH1-CE2 3.32Å; R188-Y192 VanDerWaalsContact NH1-CZ 3.3Å; R188-Y192 PolarHBondContact NH1-OH 2.95Å; R188-Y192 PolarHBondContact NH2-OH 2.96Å; R188-Y192 WeakPolarHBondContact O-CB 3.28Å; R188-Y192 WeakPolarHBondContact O-CD2 3.48Å; R188-Y192 PolarHBondContact O-N 3.41Å; N190-Y192 VanDerWaalsContact C-N 3.3Å; N190-Y192 PolarHBondContact O-N 3.47Å; Y192-N261 VanDerWaalsContact CE1-O 3.25Å; Y192-N261 WeakPolarHBondContact CE1-O 3.42Å; Y192-N261 PolarHBondContact OH-O 2.81Å; Y192-N261 VanDerWaalsContact OH-O 3.1Å; Y192-R262 PolarHBondContact OH-O 2.82Å; Y192-F264 HydrophobicContact CD1-CD1 4.47Å; Y192-F264 AromaticContact CD1-CE1 3.45Å; Y192-F264 HydrophobicContact CD1-CE1 3.45Å; Y192-F264 VanDerWaalsContact CD1-CE1 3.45Å; Y192-F264 AromaticContact CD1-CZ 3.75Å; Y192-F264 HydrophobicContact CD1-CZ 3.75Å; Y192-F264 AromaticContact CD2-CE1 3.72Å; Y192-F264 HydrophobicContact CD2-CE1 3.72Å; Y192-F264 AromaticContact CD2-CE2 3.94Å; Y192-F264 HydrophobicContact CD2-CE2 3.94Å; Y192-F264 AromaticContact CD2-CZ 3.07Å; Y192-F264 HydrophobicContact CD2-CZ 3.07Å; Y192-F264 HydrophobicContact CE1-CD1 4.21Å; Y192-F264 AromaticContact CE1-CE1 3.49Å; Y192-F264 HydrophobicContact CE1-CE1 3.49Å; Y192-F264 VanDerWaalsContact CE1-CE1 3.49Å; Y192-F264 AromaticContact CE1-CZ 3.73Å; Y192-F264 HydrophobicContact CE1-CZ 3.73Å; Y192-F264 AromaticContact CE2-CE1 3.75Å; Y192-F264 HydrophobicContact CE2-CE1 3.75Å; Y192-F264 AromaticContact CE2-CE2 3.49Å; Y192-F264 HydrophobicContact CE2-CE2 3.49Å; Y192-F264 VanDerWaalsContact CE2-CE2 3.49Å; Y192-F264 AromaticContact CE2-CZ 3.03Å; Y192-F264 HydrophobicContact CE2-CZ 3.03Å; Y192-F264 AromaticContact CG-CE1 3.53Å; Y192-F264 HydrophobicContact CG-CE1 3.53Å; Y192-F264 AromaticContact CG-CZ 3.41Å; Y192-F264 HydrophobicContact CG-CZ 3.41Å; Y192-F264 VanDerWaalsContact CG-CZ 3.41Å; Y192-F264 AromaticContact CZ-CE1 3.57Å; Y192-F264 AromaticContact CZ-CE2 3.78Å; Y192-F264 AromaticContact CZ-CZ 3.32Å
193K85.4Confident87.2Confident165 Ų16574.6 Ų74.672%0.71736%0.361SS*.Hα-helixtrans-85.7-23179.2-70.3176.4-178.4-176.40113.1S189 N190 I191 I195S189-K193 WeakPolarHBondContact O-CG 3.45Å; S189-K193 PolarHBondContact O-N 3.02Å; N190-K193 PolarHBondContact O-N 3.33Å; I191-K193 VanDerWaalsContact C-N 3.31Å; I191-K193 PolarHBondContact O-N 2.82Å; K193-I195 PolarHBondContact O-N 3.07Å
194R87.5Confident87.1Confident151 Ų15167.3 Ų67.357%0.5733%0.33SS*.  trans-69.4130.9-179.7-75.6-170-172.4-86.62.4110.8N190 I191 R202 G203N190-R194 WeakPolarHBondContact O-CG 3.32Å; N190-R194 PolarHBondContact O-N 3.42Å; I191-R194 PolarHBondContact O-N 3.1Å; R194-R202 WeakPolarHBondContact O-CA 3.48Å; R194-R202 WeakPolarHBondContact O-CB 3.17Å; R194-G203 PolarHBondContact O-N 3.48Å
195I90.4Very high86.9Confident93 Ų9368.4 Ų68.448%0.47733%0.334SS..BIsolated β-bridgetrans-104.6131.3172.7-61.4169.3000106.8K193 R202K193-I195 PolarHBondContact O-N 3.07Å; I195-R202 HydrophobicContact CG1-CG 3.79Å
196C91.7Very high86.7Confident4 Ų467.8 Ų67.83%0.02732%0.321CS..  trans-74.4134.3176.7177.80000111.3R198 H200 C201 H204 C209C196-R198 VanDerWaalsContact C-N 3.29Å; C196-R198 PolarHBondContact O-N 3.47Å; C196-R198 PolarHBondContact SG-N 3.17Å; C196-R198 VanDerWaalsContact SG-N 3.35Å; C196-H200 WeakPolarHBondContact O-CA 3.32Å; C196-H200 PolarHBondContact O-N 3.38Å; C196-C201 WeakPolarHBondContact CB-O 3.28Å; C196-C201 PolarHBondContact N-O 3.26Å; C196-H204 WeakPolarHBondContact CB-NE2 3.29Å; C196-H204 PolarHBondContact SG-NE2 3.09Å; C196-H204 VanDerWaalsContact SG-NE2 3.39Å; C196-C209 PolarHBondContact SG-SG 3.36Å
197N91.4Very high86.7Confident116 Ų11670.5 Ų70.562%0.6233%0.331SS*.THydrogen-bonded Turntrans-69.7-26.2177.6-62.7-34.6000112.9H200 E206N197-H200 PolarHBondContact O-CE1 3.14Å; N197-E206 PolarHBondContact ND2-OE2 3.16Å
198R90.8Very high86.8Confident36 Ų3670.9 Ų70.914%0.13633%0.329CS..THydrogen-bonded Turntrans-81.2-52.1-179-173.5-177.1-172.184.69.3113.6C196 D211 V272 S274C196-R198 VanDerWaalsContact C-N 3.29Å; C196-R198 PolarHBondContact O-N 3.47Å; C196-R198 PolarHBondContact SG-N 3.17Å; C196-R198 VanDerWaalsContact SG-N 3.35Å; R198-D211 HydrophobicContact CG-CB 4.46Å; R198-V272 PolarHBondContact NH2-O 2.96Å; R198-V272 VanDerWaalsContact NH2-O 3.15Å; R198-S274 PolarHBondContact NH1-OG 3.28Å; R198-S274 PolarHBondContact NH2-OG 3.49Å
199C91.4Very high87.2Confident0 Ų066.8 Ų66.80%031%0.314CS..THydrogen-bonded Turntrans-107.9-9.9-172.974.80000114C201 H204 D211 K267C199-C201 PolarHBondContact O-N 3.4Å; C199-C201 VanDerWaalsContact O-N 3.11Å; C199-C201 PolarHBondContact SG-N 3.1Å; C199-C201 VanDerWaalsContact SG-N 3.4Å; C199-H204 PolarHBondContact SG-CE1 3.13Å; C199-H204 PolarHBondContact SG-NE2 2.75Å; C199-H204 VanDerWaalsContact SG-NE2 3.37Å; C199-D211 HydrophobicContact CB-CB 4.26Å; C199-D211 WeakPolarHBondContact CB-OD2 3.22Å; C199-K267 PolarHBondContact O-NZ 3.29Å
200H90.4Very high87.5Confident125 Ų12564.4 Ų64.458%0.57930%0.296SS*.  trans60.411.7-175.7-49.4-57.7000115.3C196 N197C196-H200 WeakPolarHBondContact O-CA 3.32Å; C196-H200 PolarHBondContact O-N 3.38Å; N197-H200 PolarHBondContact O-CE1 3.14Å
201C88.2Confident87.7Confident17 Ų1759.8 Ų59.812%0.11527%0.272CS..  trans-83.3153.5168.2-64.60000110.7C196 C199 H204C196-C201 WeakPolarHBondContact CB-O 3.28Å; C196-C201 PolarHBondContact N-O 3.26Å; C199-C201 PolarHBondContact O-N 3.4Å; C199-C201 VanDerWaalsContact O-N 3.11Å; C199-C201 PolarHBondContact SG-N 3.1Å; C199-C201 VanDerWaalsContact SG-N 3.4Å; C201-H204 PolarHBondContact O-CE1 3.29Å
202R87.4Confident87.8Confident149 Ų14961 Ų6156%0.56228%0.279SS*.BIsolated β-bridgetrans-84163.4174.6-68.6175.8-179.2167.31.1111.7R194 I195 H204 F264R194-R202 WeakPolarHBondContact O-CA 3.48Å; R194-R202 WeakPolarHBondContact O-CB 3.17Å; I195-R202 HydrophobicContact CG1-CG 3.79Å; R202-H204 PolarHBondContact O-ND1 3.25Å; R202-F264 HydrophobicContact CB-CD1 4.46Å
203G84.3Confident88Confident0 Ų067 Ų670%030%0.302CS..SBendtrans93.920.3156.800000118.3I191 R194 F264I191-G203 WeakPolarHBondContact CG2-O 3.31Å; I191-G203 VanDerWaalsContact O-CA 3.3Å; I191-G203 WeakPolarHBondContact O-CA 3.25Å; I191-G203 PolarHBondContact O-N 3.34Å; R194-G203 PolarHBondContact O-N 3.48Å; G203-F264 VanDerWaalsContact CA-CD2 3.44Å; G203-F264 WeakPolarHBondContact O-CD2 3.21Å; G203-F264 WeakPolarHBondContact O-CE2 3.33Å
204H86.9Confident88Confident7 Ų762.5 Ų62.53%0.03228%0.28CS..SBendtrans-150.7162.2174.755.5-76.9000109.1C196 C199 C201 R202 C209 F266C196-H204 WeakPolarHBondContact CB-NE2 3.29Å; C196-H204 PolarHBondContact SG-NE2 3.09Å; C196-H204 VanDerWaalsContact SG-NE2 3.39Å; C199-H204 PolarHBondContact SG-CE1 3.13Å; C199-H204 PolarHBondContact SG-NE2 2.75Å; C199-H204 VanDerWaalsContact SG-NE2 3.37Å; C201-H204 PolarHBondContact O-CE1 3.29Å; R202-H204 PolarHBondContact O-ND1 3.25Å; H204-C209 VanDerWaalsContact CD2-CA 3.41Å; H204-C209 WeakPolarHBondContact CD2-CA 3.2Å; H204-C209 PolarHBondContact NE2-SG 3.14Å; H204-F266 HydrophobicContact CB-CE1 4.39Å; H204-F266 AromaticContact ND1-CE1 3.56Å
205L85.2Confident88Confident44 Ų4455.3 Ų55.323%0.2325%0.253CS..  trans-79.9156.2169.1-57.8176.7000109.4M186 I191 K207 D208 C209M186-L205 HydrophobicContact CE-CD1 3.93Å; M186-L205 HydrophobicContact CE-CG 4.42Å; M186-L205 HydrophobicContact SD-CD1 4.12Å; M186-L205 HydrophobicContact SD-CD2 4.45Å; I191-L205 HydrophobicContact CD1-CD2 3.87Å; I191-L205 HydrophobicContact CD1-CG 4.33Å; L205-K207 VanDerWaalsContact C-N 3.26Å; L205-K207 HydrophobicContact CB-CG 4.05Å; L205-K207 PolarHBondContact O-N 3.27Å; L205-D208 WeakPolarHBondContact CB-OD2 3.41Å; L205-D208 CarbonylContact O-C 3.43Å; L205-D208 WeakPolarHBondContact O-CA 3.36Å; L205-D208 PolarHBondContact O-N 3.44Å; L205-C209 PolarHBondContact O-N 3.1Å
206E85.7Confident87.6Confident101 Ų10153.2 Ų53.247%0.47224%0.241SC..G310 helixtrans-58.7-38.4-178.6-175.1157.8-161.600112.9N197 D208 C209N197-E206 PolarHBondContact ND2-OE2 3.16Å; E206-D208 PolarHBondContact O-N 2.89Å; E206-C209 WeakPolarHBondContact O-CB 3.41Å; E206-C209 PolarHBondContact O-N 2.82Å; E206-C209 VanDerWaalsContact O-N 3.16Å
207K84.9Confident86.7Confident111 Ų11156.6 Ų56.648%0.48326%0.256SS..G310 helixtrans-62.4-26.7172.967.4179.2-176.2179.30114.5L205 C209 Q286L205-K207 VanDerWaalsContact C-N 3.26Å; L205-K207 HydrophobicContact CB-CG 4.05Å; L205-K207 PolarHBondContact O-N 3.27Å; K207-C209 VanDerWaalsContact C-N 3.35Å; K207-Q286 HydrophobicContact CB-CG 4.49Å
208D86.3Confident85.2Confident58 Ų5856.8 Ų56.831%0.3127%0.266SS..G310 helixtrans-10015.2-178.9-55.8-50.4000111.1L205 E206 P210L205-D208 WeakPolarHBondContact CB-OD2 3.41Å; L205-D208 CarbonylContact O-C 3.43Å; L205-D208 WeakPolarHBondContact O-CA 3.36Å; L205-D208 PolarHBondContact O-N 3.44Å; E206-D208 PolarHBondContact O-N 2.89Å; D208-P210 VanDerWaalsContact O-CD 3.25Å; D208-P210 WeakPolarHBondContact O-CD 3.29Å
209C90.1Very high83.5Confident0 Ų057.8 Ų57.80%028%0.279CS..  trans-63.5118.1-179.9-170.70000110.3C196 H204 L205 E206 K207 D211 V212C196-C209 PolarHBondContact SG-SG 3.36Å; H204-C209 VanDerWaalsContact CD2-CA 3.41Å; H204-C209 WeakPolarHBondContact CD2-CA 3.2Å; H204-C209 PolarHBondContact NE2-SG 3.14Å; L205-C209 PolarHBondContact O-N 3.1Å; E206-C209 WeakPolarHBondContact O-CB 3.41Å; E206-C209 PolarHBondContact O-N 2.82Å; E206-C209 VanDerWaalsContact O-N 3.16Å; K207-C209 VanDerWaalsContact C-N 3.35Å; C209-D211 PolarHBondContact O-N 2.94Å; C209-D211 VanDerWaalsContact O-N 3.08Å; C209-V212 HydrophobicContact CB-CG2 4.19Å; C209-V212 WeakPolarHBondContact O-CB 3.49Å; C209-V212 PolarHBondContact O-N 3.49Å
210P88.7Confident82.1Confident25 Ų2566.2 Ų66.216%0.16232%0.322CS..Hα-helixtrans-69.6-12.1-175.723.6-28.3000113.1D208 V212 W213 R214 F266D208-P210 VanDerWaalsContact O-CD 3.25Å; D208-P210 WeakPolarHBondContact O-CD 3.29Å; P210-V212 PolarHBondContact O-N 3.37Å; P210-W213 PolarHBondContact O-N 3.42Å; P210-R214 VanDerWaalsContact CG-NH2 3.34Å; P210-R214 VanDerWaalsContact O-CB 3.29Å; P210-R214 WeakPolarHBondContact O-CB 3.11Å; P210-R214 VanDerWaalsContact O-CG 3.28Å; P210-R214 WeakPolarHBondContact O-CG 3.34Å; P210-R214 PolarHBondContact O-N 2.83Å; P210-F266 HydrophobicContact CG-CB 4.44Å; P210-F266 HydrophobicContact CG-CD1 3.44Å; P210-F266 VanDerWaalsContact CG-CD1 3.44Å; P210-F266 HydrophobicContact CG-CE1 3.75Å; P210-F266 HydrophobicContact CG-CG 3.98Å
211D88.9Confident80.6Confident0 Ų062.5 Ų62.50%032%0.317CS..Hα-helixtrans-63.1-28.6168.5-79.616.8000112.7R198 C199 C209 R214 Q215 T271R198-D211 HydrophobicContact CG-CB 4.46Å; C199-D211 HydrophobicContact CB-CB 4.26Å; C199-D211 WeakPolarHBondContact CB-OD2 3.22Å; C209-D211 PolarHBondContact O-N 2.94Å; C209-D211 VanDerWaalsContact O-N 3.08Å; D211-R214 IonicContact OD1-CZ 3.02Å; D211-R214 IonicContact OD1-NE 3.94Å; D211-R214 IonicContact OD1-NH2 3.53Å; D211-R214 PolarHBondContact OD1-NH2 3.1Å; D211-Q215 PolarHBondContact O-N 2.93Å; D211-T271 WeakPolarHBondContact OD2-CA 3.17Å; D211-T271 WeakPolarHBondContact OD2-CB 3.3Å; D211-T271 PolarHBondContact OD2-N 2.83Å; D211-T271 PolarHBondContact OD2-OG1 3.15Å
212V87.9Confident79.3Confident28 Ų2867 Ų6717%0.1735%0.349CS..Hα-helixtrans-63.9-40.8177.1175.10000111.4C209 P210 Q215 F216 L279C209-V212 HydrophobicContact CB-CG2 4.19Å; C209-V212 WeakPolarHBondContact O-CB 3.49Å; C209-V212 PolarHBondContact O-N 3.49Å; P210-V212 PolarHBondContact O-N 3.37Å; V212-Q215 WeakPolarHBondContact O-CG 3.15Å; V212-F216 WeakPolarHBondContact O-CD2 3.22Å; V212-F216 VanDerWaalsContact O-CE2 3.27Å; V212-F216 WeakPolarHBondContact O-CE2 3.15Å; V212-L279 HydrophobicContact CG1-CD2 4.13Å
213W84.7Confident77.9Confident177 Ų17766.6 Ų66.667%0.6735%0.353SS*.Hα-helixtrans-86.5-35.7179.7-56.1113.1000112.2P210 Q215 F216P210-W213 PolarHBondContact O-N 3.42Å; W213-Q215 PolarHBondContact O-N 3.38Å; W213-F216 HydrophobicContact CE3-CE2 4.49Å; W213-F216 PolarHBondContact O-N 3.36Å
214R85.8Confident76.6Confident71 Ų7169.3 Ų69.327%0.26837%0.372SS..Hα-helixtrans-65.8-21.4-178.9-79.6-169.7-70.7-108.13.9114.6P210 D211 F216 K267 V270P210-R214 VanDerWaalsContact CG-NH2 3.34Å; P210-R214 VanDerWaalsContact O-CB 3.29Å; P210-R214 WeakPolarHBondContact O-CB 3.11Å; P210-R214 VanDerWaalsContact O-CG 3.28Å; P210-R214 WeakPolarHBondContact O-CG 3.34Å; P210-R214 PolarHBondContact O-N 2.83Å; D211-R214 IonicContact OD1-CZ 3.02Å; D211-R214 IonicContact OD1-NE 3.94Å; D211-R214 IonicContact OD1-NH2 3.53Å; D211-R214 PolarHBondContact OD1-NH2 3.1Å; R214-F216 PolarHBondContact O-N 2.75Å; R214-K267 VanDerWaalsContact CZ-O 3.24Å; R214-K267 PolarHBondContact NH1-O 2.84Å; R214-K267 PolarHBondContact NH2-O 3.05Å; R214-V270 HydrophobicContact CB-CG2 3.61Å; R214-V270 WeakPolarHBondContact O-CG2 3.05Å
215Q86Confident75.2Confident0 Ų076.2 Ų76.20%040%0.404CS..THydrogen-bonded Turntrans-71.1-16.9176.359.5170.981.700113.9D211 V212 W213 H217 L226 V270 Y273 S274D211-Q215 PolarHBondContact O-N 2.93Å; V212-Q215 WeakPolarHBondContact O-CG 3.15Å; W213-Q215 PolarHBondContact O-N 3.38Å; Q215-H217 PolarHBondContact O-CD2 3.26Å; Q215-H217 PolarHBondContact O-N 2.87Å; Q215-L226 HydrophobicContact CB-CD2 4.36Å; Q215-L226 HydrophobicContact CG-CD2 4.3Å; Q215-V270 HydrophobicContact CB-CG1 4.04Å; Q215-V270 HydrophobicContact CB-CG2 4.23Å; Q215-Y273 HydrophobicContact CB-CD1 3.7Å; Q215-Y273 HydrophobicContact CB-CE1 3.92Å; Q215-S274 PolarHBondContact NE2-O 2.81Å
216F82.5Confident74.2Confident49 Ų4976.4 Ų76.422%0.21541%0.405CS..BIsolated β-bridgetrans-83.9100171.6-61.7-76000108.8V212 W213 R214 C224 L276 L279V212-F216 WeakPolarHBondContact O-CD2 3.22Å; V212-F216 VanDerWaalsContact O-CE2 3.27Å; V212-F216 WeakPolarHBondContact O-CE2 3.15Å; W213-F216 HydrophobicContact CE3-CE2 4.49Å; W213-F216 PolarHBondContact O-N 3.36Å; R214-F216 PolarHBondContact O-N 2.75Å; F216-C224 HydrophobicContact CD1-CB 3.91Å; F216-C224 HydrophobicContact CE1-CB 4.24Å; F216-L276 HydrophobicContact CE1-CD2 4.07Å; F216-L279 HydrophobicContact CE1-CD1 4.36Å; F216-L279 HydrophobicContact CE2-CD1 3.94Å; F216-L279 HydrophobicContact CZ-CD1 3.44Å; F216-L279 VanDerWaalsContact CZ-CD1 3.44Å
217H72.5Confident72.9Confident74 Ų7472.8 Ų72.834%0.34340%0.395SS..  trans-86.1129176.7-64.7-71.9000109.6Q215 S219 Y273Q215-H217 PolarHBondContact O-CD2 3.26Å; Q215-H217 PolarHBondContact O-N 2.87Å; H217-S219 PolarHBondContact O-N 3.2Å; H217-Y273 AromaticContact CD2-CE1 3.99Å; H217-Y273 AromaticContact NE2-CE1 3.52Å; H217-Y273 AromaticContact NE2-CZ 3.6Å; H217-Y273 PolarHBondContact NE2-OH 3.37Å
218S60Low71.7Confident120 Ų12076.7 Ų76.784%0.83942%0.415SS*.SBendtrans46.348.4170.9-60.70000115.8I220S218-I220 PolarHBondContact O-N 2.79Å
219S56.5Low70.1Confident58 Ų5881.4 Ų81.441%0.40644%0.44SS..  trans-77.538-175.548.90000115.6H217 G221H217-S219 PolarHBondContact O-N 3.2Å; S219-G221 PolarHBondContact O-N 3.28Å
220I60.5Low68.6Low176 Ų17688.5 Ų88.590%0.90347%0.467SS*.  trans-81.6-4.5177.8-41.1178.5000111.6S218S218-I220 PolarHBondContact O-N 2.79Å
221G59Low67.1Low47 Ų4796.1 Ų96.149%0.48550%0.5SS..SBendtrans-101.6164.4175.100000113.8S219 H223S219-G221 PolarHBondContact O-N 3.28Å; G221-H223 PolarHBondContact O-N 2.86Å
222S61.6Low65.7Low111 Ų111102.6 Ų102.678%0.77653%0.529SS*.SBendtrans-61.9-4.1176.352.20000114.7
223H57.4Low64.4Low141 Ų141109.3 Ų109.365%0.65356%0.555SS**  trans-126.599.2179.1-57.7-70.2000109.1G221 E225G221-H223 PolarHBondContact O-N 2.86Å; H223-E225 VanDerWaalsContact C-N 3.33Å; H223-E225 PolarHBondContact O-N 2.82Å
224C56.7Low63.4Low58 Ų58105.7 Ų105.739%0.39255%0.549SS..  trans-73.287.5170.1-63.80000109F216F216-C224 HydrophobicContact CD1-CB 3.91Å; F216-C224 HydrophobicContact CE1-CB 4.24Å
225E59.1Low62.6Low151 Ų151111.5 Ų111.571%0.70657%0.571SS**  trans-81.2138.8173.5-65-176.4-176.800110.3H223 G227H223-E225 VanDerWaalsContact C-N 3.33Å; H223-E225 PolarHBondContact O-N 2.82Å; E225-G227 PolarHBondContact O-N 3.2Å; E225-G227 VanDerWaalsContact O-N 3.1Å
226L62.8Low61.9Low49 Ų49117 Ų11726%0.25761%0.605SS.*BIsolated β-bridgetrans-70.3106.6170.9-63.7172.1000107Q215 Q228 S274Q215-L226 HydrophobicContact CB-CD2 4.36Å; Q215-L226 HydrophobicContact CG-CD2 4.3Å; L226-Q228 PolarHBondContact O-N 2.87Å; L226-S274 VanDerWaalsContact CD1-O 3.22Å; L226-S274 WeakPolarHBondContact CD1-O 3.48Å
227G59.3Low61.8Low25 Ų25118.3 Ų118.326%0.25862%0.619SS.*  trans-54.9124-177.600000111.6E225E225-G227 PolarHBondContact O-N 3.2Å; E225-G227 VanDerWaalsContact O-N 3.1Å
228Q59.9Low62.4Low193 Ų193116.4 Ų116.490%0.90261%0.611SS**  trans-90.8-9.3179.7-66.4179.6-6.800112.9L226L226-Q228 PolarHBondContact O-N 2.87Å
229N52.9Low63.7Low157 Ų157117.2 Ų117.284%0.8460%0.597SS**  trans-119.3109.7-168.6-136.7-0.1000111.4
230W57.9Low65.3Low149 Ų149114.7 Ų114.756%0.56458%0.579SS**  trans-116.6105.5173.264-74.2000107.8K232W230-K232 HydrophobicContact CD2-CG 4.23Å; W230-K232 HydrophobicContact CE3-CB 3.94Å; W230-K232 HydrophobicContact CE3-CD 4.2Å; W230-K232 HydrophobicContact CE3-CG 3.55Å; W230-K232 HydrophobicContact CH2-CB 4.34Å; W230-K232 HydrophobicContact CH2-CD 3.18Å; W230-K232 HydrophobicContact CH2-CG 3.53Å; W230-K232 HydrophobicContact CZ2-CD 3.89Å; W230-K232 HydrophobicContact CZ2-CG 4.14Å; W230-K232 HydrophobicContact CZ3-CB 3.58Å; W230-K232 HydrophobicContact CZ3-CD 3.35Å; W230-K232 HydrophobicContact CZ3-CG 3.16Å; W230-K232 PolarHBondContact O-N 3.06Å
231E57.4Low66.5Low184 Ų184113.2 Ų113.286%0.8657%0.566SS**PPolyproline II helixtrans-60.9116.5162.3-71.8-179.1174.900107.1K233E231-K233 PolarHBondContact O-N 3.37Å
232K59.6Low67.7Low137 Ų137112 Ų11260%0.59655%0.548SS*.PPolyproline II helixtrans-64.2116.4176-38.6-156.8175.5-171.10105.9W230 N234W230-K232 HydrophobicContact CD2-CG 4.23Å; W230-K232 HydrophobicContact CE3-CB 3.94Å; W230-K232 HydrophobicContact CE3-CD 4.2Å; W230-K232 HydrophobicContact CE3-CG 3.55Å; W230-K232 HydrophobicContact CH2-CB 4.34Å; W230-K232 HydrophobicContact CH2-CD 3.18Å; W230-K232 HydrophobicContact CH2-CG 3.53Å; W230-K232 HydrophobicContact CZ2-CD 3.89Å; W230-K232 HydrophobicContact CZ2-CG 4.14Å; W230-K232 HydrophobicContact CZ3-CB 3.58Å; W230-K232 HydrophobicContact CZ3-CD 3.35Å; W230-K232 HydrophobicContact CZ3-CG 3.16Å; W230-K232 PolarHBondContact O-N 3.06Å; K232-N234 PolarHBondContact O-N 2.97Å
233K59.8Low69Low169 Ų169108.5 Ų108.574%0.73552%0.524SS*.PPolyproline II helixtrans-47.9136168.4-73.7-170.8176.5-173.10108.7E231 R235E231-K233 PolarHBondContact O-N 3.37Å; K233-R235 PolarHBondContact O-N 3.32Å
234N65.2Low70.4Confident101 Ų101104.2 Ų104.254%0.5452%0.518SS..  trans-54.3114.7-179.7-173.6-7.7000109.3K232 T236 C237K232-N234 PolarHBondContact O-N 2.97Å; N234-T236 VanDerWaalsContact CG-OG1 3.25Å; N234-T236 PolarHBondContact ND2-OG1 3.06Å; N234-T236 VanDerWaalsContact ND2-OG1 3.15Å; N234-T236 PolarHBondContact O-N 3.24Å; N234-T236 PolarHBondContact OD1-N 3.3Å; N234-T236 PolarHBondContact OD1-OG1 2.96Å; N234-C237 PolarHBondContact O-N 3.06Å
235R69.2Low72Confident193 Ų193106 Ų10673%0.72852%0.524SS*.THydrogen-bonded Turntrans-68.3-14.3-176.4-71.2-171.6169.6-158-2.7112.7K233K233-R235 PolarHBondContact O-N 3.32Å
236T70.1Confident73.5Confident115 Ų115105.4 Ų105.471%0.70652%0.521SS*.THydrogen-bonded Turntrans-84.1-10.5-179.966.70000113.3N234N234-T236 VanDerWaalsContact CG-OG1 3.25Å; N234-T236 PolarHBondContact ND2-OG1 3.06Å; N234-T236 VanDerWaalsContact ND2-OG1 3.15Å; N234-T236 PolarHBondContact O-N 3.24Å; N234-T236 PolarHBondContact OD1-N 3.3Å; N234-T236 PolarHBondContact OD1-OG1 2.96Å
237C79.9Confident74.8Confident76 Ų76106.1 Ų106.151%0.51454%0.54SS..SBendtrans-126.549.3-176.9-59.40000111.4N234 Y239N234-C237 PolarHBondContact O-N 3.06Å; C237-Y239 HydrophobicContact CB-CE2 4.39Å
238L85.2Confident76.2Confident34 Ų34106.5 Ų106.518%0.17854%0.535CS..  trans-89.4121.4176.9-60.3178.6000109.7E246 G247 L249L238-E246 CarbonylContact O-C 3.34Å; L238-E246 WeakPolarHBondContact O-CA 3.06Å; L238-G247 PolarHBondContact O-N 3.38Å; L238-L249 HydrophobicContact CD2-CD2 3.98Å; L238-L249 HydrophobicContact CD2-CG 4.19Å
239Y88.7Confident77.5Confident138 Ų13899.2 Ų99.254%0.54150%0.502SS..BIsolated β-bridgetrans-118.7140.4173.9-65.5-89.3000110.8C237 E246 H248C237-Y239 HydrophobicContact CB-CE2 4.39Å; Y239-E246 HydrophobicContact CD1-CB 3.95Å; Y239-E246 HydrophobicContact CE1-CB 3.66Å; Y239-H248 CarbonylContact C-O 3.33Å
240C88.4Confident79Confident4 Ų491.9 Ų91.93%0.02746%0.463CS..  trans-83.6120-179.2178.90000111.1N242 C243 G244 N245 H248 C253C240-N242 PolarHBondContact O-N 3.05Å; C240-N242 VanDerWaalsContact SG-CB 3.57Å; C240-N242 PolarHBondContact SG-N 3.03Å; C240-C243 PolarHBondContact SG-N 3.33Å; C240-C243 VanDerWaalsContact SG-N 3.37Å; C240-G244 VanDerWaalsContact O-CA 3.26Å; C240-G244 WeakPolarHBondContact O-CA 3.03Å; C240-G244 PolarHBondContact O-N 3.3Å; C240-N245 WeakPolarHBondContact CB-O 3.2Å; C240-N245 PolarHBondContact N-O 3.15Å; C240-H248 WeakPolarHBondContact CA-O 3.5Å; C240-H248 VanDerWaalsContact CB-CE1 3.5Å; C240-H248 WeakPolarHBondContact CB-CE1 3.43Å; C240-H248 VanDerWaalsContact CB-NE2 3.29Å; C240-H248 WeakPolarHBondContact CB-NE2 3.5Å; C240-H248 PolarHBondContact N-O 3.28Å; C240-H248 PolarHBondContact SG-NE2 2.95Å; C240-C253 VanDerWaalsContact SG-CB 3.54Å
241F86Confident80.3Confident146 Ų14686.5 Ų86.564%0.6445%0.445SS*.THydrogen-bonded Turntrans-62.9-15.3174.771.8-103.4000113.7Q265F241-Q265 HydrophobicContact CZ-CG 4.47Å
242N84.2Confident81.6Confident20 Ų2083 Ų8311%0.10743%0.428CS..THydrogen-bonded Turntrans-95.3-46.7-173.9-173.356000112.8C240 C253 Q255 G257 L258C240-N242 PolarHBondContact O-N 3.05Å; C240-N242 VanDerWaalsContact SG-CB 3.57Å; C240-N242 PolarHBondContact SG-N 3.03Å; N242-C253 HydrophobicContact CB-CB 4.22Å; N242-C253 PolarHBondContact ND2-SG 2.95Å; N242-Q255 PolarHBondContact ND2-O 3.05Å; N242-Q255 VanDerWaalsContact ND2-O 3.08Å; N242-G257 WeakPolarHBondContact ND2-CA 3.26Å; N242-G257 WeakPolarHBondContact OD1-CA 3.49Å; N242-L258 PolarHBondContact OD1-N 3.41Å
243C88.8Confident82.9Confident38 Ų3877 Ų7726%0.25740%0.403SS..THydrogen-bonded Turntrans-114.7-2-177.972.10000114.1C240 N245 H248 Q255C240-C243 PolarHBondContact SG-N 3.33Å; C240-C243 VanDerWaalsContact SG-N 3.37Å; C243-N245 PolarHBondContact O-N 3.24Å; C243-H248 PolarHBondContact SG-CE1 3.24Å; C243-Q255 HydrophobicContact CB-CB 4.14Å; C243-Q255 HydrophobicContact CB-CG 3.96Å
244G88.3Confident84Confident52 Ų5275.7 Ų75.754%0.53641%0.405SS..  trans75.6-22.6-178.800000115.2C240C240-G244 VanDerWaalsContact O-CA 3.26Å; C240-G244 WeakPolarHBondContact O-CA 3.03Å; C240-G244 PolarHBondContact O-N 3.3Å
245N89.8Confident84.7Confident96 Ų9675.7 Ų75.751%0.51340%0.401SS..  trans-61.6148.5-178.1-61-16.4000113.1C240 C243C240-N245 WeakPolarHBondContact CB-O 3.2Å; C240-N245 PolarHBondContact N-O 3.15Å; C243-N245 PolarHBondContact O-N 3.24Å
246E90.5Very high84.7Confident138 Ų13870.1 Ų70.165%0.64540%0.396SS*.BIsolated β-bridgetrans-74.8171.1173.364.6-179.5-162.800113.1L238 Y239 H248L238-E246 CarbonylContact O-C 3.34Å; L238-E246 WeakPolarHBondContact O-CA 3.06Å; Y239-E246 HydrophobicContact CD1-CB 3.95Å; Y239-E246 HydrophobicContact CE1-CB 3.66Å; E246-H248 PolarHBondContact O-N 3.41Å; E246-H248 PolarHBondContact O-ND1 3.22Å
247G89.1Confident84.3Confident63 Ų6365.3 Ų65.365%0.64937%0.37SS*.SBendtrans85.9-7.117200000115.7L238L238-G247 PolarHBondContact O-N 3.38Å
248H89.9Confident83.3Confident33 Ų3368.1 Ų68.115%0.15338%0.379CS..SBendtrans-149.8154.7178.271.8-75.4000113.6Y239 C240 C243 E246 Q252 C253Y239-H248 CarbonylContact C-O 3.33Å; C240-H248 WeakPolarHBondContact CA-O 3.5Å; C240-H248 VanDerWaalsContact CB-CE1 3.5Å; C240-H248 WeakPolarHBondContact CB-CE1 3.43Å; C240-H248 VanDerWaalsContact CB-NE2 3.29Å; C240-H248 WeakPolarHBondContact CB-NE2 3.5Å; C240-H248 PolarHBondContact N-O 3.28Å; C240-H248 PolarHBondContact SG-NE2 2.95Å; C243-H248 PolarHBondContact SG-CE1 3.24Å; E246-H248 PolarHBondContact O-N 3.41Å; E246-H248 PolarHBondContact O-ND1 3.22Å; H248-Q252 HydrophobicContact CB-CB 4.12Å; H248-C253 PolarHBondContact NE2-SG 2.95Å
249L87.2Confident82Confident40 Ų4073.5 Ų73.521%0.20940%0.398CS..  trans-86.2156171.3-67.6167.2000109.8L238 H251 Q252 P268L238-L249 HydrophobicContact CD2-CD2 3.98Å; L238-L249 HydrophobicContact CD2-CG 4.19Å; L249-H251 WeakPolarHBondContact CB-ND1 3.24Å; L249-H251 PolarHBondContact O-N 3.21Å; L249-Q252 WeakPolarHBondContact O-CA 3.44Å; L249-Q252 WeakPolarHBondContact O-CB 3.4Å; L249-Q252 PolarHBondContact O-N 3.35Å; L249-P268 HydrophobicContact CD1-CG 3.85Å
250G84.8Confident80.5Confident3 Ų371.1 Ų71.13%0.03140%0.395CS..G310 helixtrans-60.3-22.5-174.300000115.5Q252 C253 Q265G250-Q252 PolarHBondContact O-N 3.43Å; G250-C253 WeakPolarHBondContact O-CB 2.79Å; G250-C253 PolarHBondContact O-N 3.39Å; G250-Q265 PolarHBondContact O-NE2 3.26Å; G250-Q265 PolarHBondContact O-OE1 3Å
251H83.4Confident79Confident37 Ų3775.7 Ų75.717%0.17142%0.419CS..G310 helixtrans-71.2-12.4171.878.6-78.3000115.4L249 Q265 F266 P268 Y269L249-H251 WeakPolarHBondContact CB-ND1 3.24Å; L249-H251 PolarHBondContact O-N 3.21Å; H251-Q265 HydrophobicContact CB-CB 4.05Å; H251-F266 WeakPolarHBondContact CB-O 3.04Å; H251-P268 WeakPolarHBondContact ND1-CD 3.13Å; H251-Y269 AromaticContact CE1-CE1 3.89Å; H251-Y269 PolarHBondContact NE2-OH 3.36Å
252Q86.4Confident77.9Confident109 Ų10975.1 Ų75.151%0.50941%0.412SS..G310 helixtrans-102.61.1175.6-58.8166.9-68.200110.8H248 L249 G250 N254H248-Q252 HydrophobicContact CB-CB 4.12Å; L249-Q252 WeakPolarHBondContact O-CA 3.44Å; L249-Q252 WeakPolarHBondContact O-CB 3.4Å; L249-Q252 PolarHBondContact O-N 3.35Å; G250-Q252 PolarHBondContact O-N 3.43Å; Q252-N254 PolarHBondContact O-N 3.47Å
253C86.4Confident77Confident12 Ų1278.9 Ų78.98%0.08143%0.432CS..  trans-74.6123.6-174.8-169.30000110.5C240 N242 H248 G250C240-C253 VanDerWaalsContact SG-CB 3.54Å; N242-C253 HydrophobicContact CB-CB 4.22Å; N242-C253 PolarHBondContact ND2-SG 2.95Å; H248-C253 PolarHBondContact NE2-SG 2.95Å; G250-C253 WeakPolarHBondContact O-CB 2.79Å; G250-C253 PolarHBondContact O-N 3.39Å
254N82.2Confident76.2Confident142 Ų14278 Ų7876%0.75942%0.424SS*.  trans-90.5-0.717665.10.3000113.5Q252Q252-N254 PolarHBondContact O-N 3.47Å
255Q79.9Confident75.6Confident101 Ų10178.3 Ų78.347%0.47241%0.411SS..SBendtrans-82.2138.1177.3-59.6-59.5-42.400110.6N242 C243 G257N242-Q255 PolarHBondContact ND2-O 3.05Å; N242-Q255 VanDerWaalsContact ND2-O 3.08Å; C243-Q255 HydrophobicContact CB-CB 4.14Å; C243-Q255 HydrophobicContact CB-CG 3.96Å; Q255-G257 PolarHBondContact O-N 3.2Å
256A69.3Low75.2Confident75 Ų7576.4 Ų76.462%0.6240%0.398SS*.  trans-57.9112.6171.300000108.4
257G62.2Low75Confident15 Ų1571.5 Ų71.516%0.15537%0.374CS..  trans-71.5171.8-167.400000115.7N242 Q255 Y259 N260N242-G257 WeakPolarHBondContact ND2-CA 3.26Å; N242-G257 WeakPolarHBondContact OD1-CA 3.49Å; Q255-G257 PolarHBondContact O-N 3.2Å; G257-Y259 PolarHBondContact O-N 3.32Å; G257-N260 PolarHBondContact O-N 3.35Å
258L58.9Low74.8Confident134 Ų13472.3 Ų72.370%0.70237%0.368SS*.THydrogen-bonded Turntrans-47.3-21.7174.2-75.7162.7000113.6N242N242-L258 PolarHBondContact OD1-N 3.41Å
259Y57.5Low74.4Confident147 Ų14775.9 Ų75.958%0.57638%0.381SS*.THydrogen-bonded Turntrans-11524.2-179.2-56.7-78000114.1G257 N261 R262 I263G257-Y259 PolarHBondContact O-N 3.32Å; Y259-N261 VanDerWaalsContact C-N 3.35Å; Y259-N261 PolarHBondContact O-N 3.4Å; Y259-R262 WeakPolarHBondContact O-CA 3.4Å; Y259-R262 WeakPolarHBondContact O-CB 3.23Å; Y259-R262 WeakPolarHBondContact O-CG 3.41Å; Y259-R262 PolarHBondContact O-N 3.11Å; Y259-I263 HydrophobicContact CD2-CD1 4.11Å; Y259-I263 HydrophobicContact CG-CD1 4.08Å
260N56.5Low74.5Confident89 Ų8974.8 Ų74.848%0.47638%0.376SS..THydrogen-bonded Turntrans50.250.9174-161.211.3000112.8G257 R262G257-N260 PolarHBondContact O-N 3.35Å; N260-R262 PolarHBondContact O-N 3.38Å
261N58.5Low74.7Confident99 Ų9977 Ų7753%0.52939%0.389SS..THydrogen-bonded Turntrans54.226.4-176.2-60.1-18.4000114.2R188 Y192 Y259R188-N261 PolarHBondContact NH2-O 3.08Å; R188-N261 VanDerWaalsContact NH2-O 3.1Å; Y192-N261 VanDerWaalsContact CE1-O 3.25Å; Y192-N261 WeakPolarHBondContact CE1-O 3.42Å; Y192-N261 PolarHBondContact OH-O 2.81Å; Y192-N261 VanDerWaalsContact OH-O 3.1Å; Y259-N261 VanDerWaalsContact C-N 3.35Å; Y259-N261 PolarHBondContact O-N 3.4Å
262R62.3Low74.8Confident134 Ų13478.3 Ų78.351%0.50640%0.399SS..  trans-81-16.9-178.7-69.4-172-106.3-160.9-2.3115.2R188 Y192 Y259 N260R188-R262 PolarHBondContact NH1-O 3.34Å; Y192-R262 PolarHBondContact OH-O 2.82Å; Y259-R262 WeakPolarHBondContact O-CA 3.4Å; Y259-R262 WeakPolarHBondContact O-CB 3.23Å; Y259-R262 WeakPolarHBondContact O-CG 3.41Å; Y259-R262 PolarHBondContact O-N 3.11Å; N260-R262 PolarHBondContact O-N 3.38Å
263I64.6Low74.8Confident100 Ų10077.6 Ų77.651%0.51339%0.393SS..SBendtrans-123.3127.2-178.4-56176.8000107.6Y259Y259-I263 HydrophobicContact CD2-CD1 4.11Å; Y259-I263 HydrophobicContact CG-CD1 4.08Å
264F72.2Confident74.8Confident20 Ų2077.4 Ų77.49%0.08839%0.392CS..  trans-67.9132.8174.4-60.7-73.9000110F175 I191 Y192 R202 G203 F266F175-F264 HydrophobicContact CE2-CD2 4.21Å; F175-F264 HydrophobicContact CZ-CD2 4.32Å; I191-F264 HydrophobicContact CG2-CE2 3.84Å; I191-F264 HydrophobicContact CG2-CZ 3.92Å; Y192-F264 HydrophobicContact CD1-CD1 4.47Å; Y192-F264 AromaticContact CD1-CE1 3.45Å; Y192-F264 HydrophobicContact CD1-CE1 3.45Å; Y192-F264 VanDerWaalsContact CD1-CE1 3.45Å; Y192-F264 AromaticContact CD1-CZ 3.75Å; Y192-F264 HydrophobicContact CD1-CZ 3.75Å; Y192-F264 AromaticContact CD2-CE1 3.72Å; Y192-F264 HydrophobicContact CD2-CE1 3.72Å; Y192-F264 AromaticContact CD2-CE2 3.94Å; Y192-F264 HydrophobicContact CD2-CE2 3.94Å; Y192-F264 AromaticContact CD2-CZ 3.07Å; Y192-F264 HydrophobicContact CD2-CZ 3.07Å; Y192-F264 HydrophobicContact CE1-CD1 4.21Å; Y192-F264 AromaticContact CE1-CE1 3.49Å; Y192-F264 HydrophobicContact CE1-CE1 3.49Å; Y192-F264 VanDerWaalsContact CE1-CE1 3.49Å; Y192-F264 AromaticContact CE1-CZ 3.73Å; Y192-F264 HydrophobicContact CE1-CZ 3.73Å; Y192-F264 AromaticContact CE2-CE1 3.75Å; Y192-F264 HydrophobicContact CE2-CE1 3.75Å; Y192-F264 AromaticContact CE2-CE2 3.49Å; Y192-F264 HydrophobicContact CE2-CE2 3.49Å; Y192-F264 VanDerWaalsContact CE2-CE2 3.49Å; Y192-F264 AromaticContact CE2-CZ 3.03Å; Y192-F264 HydrophobicContact CE2-CZ 3.03Å; Y192-F264 AromaticContact CG-CE1 3.53Å; Y192-F264 HydrophobicContact CG-CE1 3.53Å; Y192-F264 AromaticContact CG-CZ 3.41Å; Y192-F264 HydrophobicContact CG-CZ 3.41Å; Y192-F264 VanDerWaalsContact CG-CZ 3.41Å; Y192-F264 AromaticContact CZ-CE1 3.57Å; Y192-F264 AromaticContact CZ-CE2 3.78Å; Y192-F264 AromaticContact CZ-CZ 3.32Å; R202-F264 HydrophobicContact CB-CD1 4.46Å; G203-F264 VanDerWaalsContact CA-CD2 3.44Å; G203-F264 WeakPolarHBondContact O-CD2 3.21Å; G203-F264 WeakPolarHBondContact O-CE2 3.33Å; F264-F266 HydrophobicContact CB-CE2 4.38Å; F264-F266 HydrophobicContact CB-CZ 4.19Å; F264-F266 WeakPolarHBondContact O-CD2 3.39Å; F264-F266 PolarHBondContact O-N 3.48Å
265Q76Confident75Confident57 Ų5773.8 Ų73.827%0.26638%0.375SS..  trans-85.5103.8178.5-54166.3-17.400108.4F241 G250 H251F241-Q265 HydrophobicContact CZ-CG 4.47Å; G250-Q265 PolarHBondContact O-NE2 3.26Å; G250-Q265 PolarHBondContact O-OE1 3Å; H251-Q265 HydrophobicContact CB-CB 4.05Å
266F80.8Confident75.2Confident57 Ų5772.9 Ų72.925%0.2537%0.373CS..  trans-78.4149.8175.8-58.5-77.4000110.8F175 H204 P210 H251 F264F175-F266 HydrophobicContact CE2-CZ 4.39Å; H204-F266 HydrophobicContact CB-CE1 4.39Å; H204-F266 AromaticContact ND1-CE1 3.56Å; P210-F266 HydrophobicContact CG-CB 4.44Å; P210-F266 HydrophobicContact CG-CD1 3.44Å; P210-F266 VanDerWaalsContact CG-CD1 3.44Å; P210-F266 HydrophobicContact CG-CE1 3.75Å; P210-F266 HydrophobicContact CG-CG 3.98Å; H251-F266 WeakPolarHBondContact CB-O 3.04Å; F264-F266 HydrophobicContact CB-CE2 4.38Å; F264-F266 HydrophobicContact CB-CZ 4.19Å; F264-F266 WeakPolarHBondContact O-CD2 3.39Å; F264-F266 PolarHBondContact O-N 3.48Å
267K87Confident76Confident34 Ų3474 Ų7415%0.14837%0.365CS..  trans-59.3136.2167.6-73.3166.5174.71750109.7C199 R214 Y269 T271C199-K267 PolarHBondContact O-NZ 3.29Å; R214-K267 VanDerWaalsContact CZ-O 3.24Å; R214-K267 PolarHBondContact NH1-O 2.84Å; R214-K267 PolarHBondContact NH2-O 3.05Å; K267-Y269 HydrophobicContact CB-CD2 4.42Å; K267-Y269 HydrophobicContact CB-CE1 4.29Å; K267-Y269 HydrophobicContact CB-CE2 4.2Å; K267-Y269 HydrophobicContact CD-CE2 3.88Å; K267-Y269 HydrophobicContact CG-CE1 4.45Å; K267-Y269 HydrophobicContact CG-CE2 4.2Å; K267-Y269 PolarHBondContact O-N 3.19Å; K267-T271 WeakPolarHBondContact CD-OG1 3.42Å; K267-T271 PolarHBondContact NZ-OG1 3.01Å
268P84.3Confident77.3Confident80 Ų8077.4 Ų77.452%0.51938%0.377SS..SBendtrans-82.418177.733.9-34.4000112.9L249 H251L249-P268 HydrophobicContact CD1-CG 3.85Å; H251-P268 WeakPolarHBondContact ND1-CD 3.13Å
269Y82.8Confident78.5Confident109 Ų10972.1 Ų72.143%0.42735%0.35SS..SBendtrans-146.5162.9-17853.4-96.8000109.4H251 K267H251-Y269 AromaticContact CE1-CE1 3.89Å; H251-Y269 PolarHBondContact NE2-OH 3.36Å; K267-Y269 HydrophobicContact CB-CD2 4.42Å; K267-Y269 HydrophobicContact CB-CE1 4.29Å; K267-Y269 HydrophobicContact CB-CE2 4.2Å; K267-Y269 HydrophobicContact CD-CE2 3.88Å; K267-Y269 HydrophobicContact CG-CE1 4.45Å; K267-Y269 HydrophobicContact CG-CE2 4.2Å; K267-Y269 PolarHBondContact O-N 3.19Å
270V87.8Confident79.8Confident17 Ų1772.2 Ų72.210%0.10335%0.349CS..  trans-79.3127.4176.4-179.40000109R214 Q215 V272 Y273R214-V270 HydrophobicContact CB-CG2 3.61Å; R214-V270 WeakPolarHBondContact O-CG2 3.05Å; Q215-V270 HydrophobicContact CB-CG1 4.04Å; Q215-V270 HydrophobicContact CB-CG2 4.23Å; V270-V272 WeakPolarHBondContact CG1-O 3.15Å; V270-Y273 HydrophobicContact CB-CD2 4.46Å; V270-Y273 HydrophobicContact CB-CE1 4.39Å; V270-Y273 HydrophobicContact CB-CE2 3.89Å; V270-Y273 HydrophobicContact CG1-CD1 4.3Å; V270-Y273 HydrophobicContact CG1-CD2 3.92Å; V270-Y273 HydrophobicContact CG1-CE1 4.22Å; V270-Y273 HydrophobicContact CG1-CE2 3.86Å; V270-Y273 HydrophobicContact CG1-CG 4.14Å; V270-Y273 HydrophobicContact CG2-CE1 4.36Å
271T88.7Confident81.2Confident50 Ų5072.3 Ų72.331%0.30735%0.349SS..SBendtrans-80.4-41.3175.3-45.40000111.1D211 K267D211-T271 WeakPolarHBondContact OD2-CA 3.17Å; D211-T271 WeakPolarHBondContact OD2-CB 3.3Å; D211-T271 PolarHBondContact OD2-N 2.83Å; D211-T271 PolarHBondContact OD2-OG1 3.15Å; K267-T271 WeakPolarHBondContact CD-OG1 3.42Å; K267-T271 PolarHBondContact NZ-OG1 3.01Å
272V86.3Confident82.3Confident63 Ų6370.5 Ų70.538%0.38234%0.341SS..  trans-135.9124.9-176.8-1790000109.5R198 V270R198-V272 PolarHBondContact NH2-O 2.96Å; R198-V272 VanDerWaalsContact NH2-O 3.15Å; V270-V272 WeakPolarHBondContact CG1-O 3.15Å
273Y86.1Confident83.2Confident94 Ų9470.1 Ų70.137%0.36934%0.343SS..PPolyproline II helixtrans-88.3119.2168.1-73.2-92.8000108.6Q215 H217 V270Q215-Y273 HydrophobicContact CB-CD1 3.7Å; Q215-Y273 HydrophobicContact CB-CE1 3.92Å; H217-Y273 AromaticContact CD2-CE1 3.99Å; H217-Y273 AromaticContact NE2-CE1 3.52Å; H217-Y273 AromaticContact NE2-CZ 3.6Å; H217-Y273 PolarHBondContact NE2-OH 3.37Å; V270-Y273 HydrophobicContact CB-CD2 4.46Å; V270-Y273 HydrophobicContact CB-CE1 4.39Å; V270-Y273 HydrophobicContact CB-CE2 3.89Å; V270-Y273 HydrophobicContact CG1-CD1 4.3Å; V270-Y273 HydrophobicContact CG1-CD2 3.92Å; V270-Y273 HydrophobicContact CG1-CE1 4.22Å; V270-Y273 HydrophobicContact CG1-CE2 3.86Å; V270-Y273 HydrophobicContact CG1-CG 4.14Å; V270-Y273 HydrophobicContact CG2-CE1 4.36Å
274S86.1Confident83.9Confident9 Ų968.8 Ų68.86%0.06334%0.34CS..PPolyproline II helixtrans-92.2147.6170.4-77.80000111.4R198 Q215 L226 E278R198-S274 PolarHBondContact NH1-OG 3.28Å; R198-S274 PolarHBondContact NH2-OG 3.49Å; Q215-S274 PolarHBondContact NE2-O 2.81Å; L226-S274 VanDerWaalsContact CD1-O 3.22Å; L226-S274 WeakPolarHBondContact CD1-O 3.48Å; S274-E278 WeakPolarHBondContact CA-OE2 3.16Å; S274-E278 WeakPolarHBondContact CB-OE2 3.42Å; S274-E278 PolarHBondContact OG-OE2 3.47Å; S274-E278 VanDerWaalsContact OG-OE2 3.14Å
275T87.1Confident84Confident66 Ų6671.6 Ų71.641%0.40536%0.361SS..PPolyproline II helixtrans-63.6158168.168.90000110.5E277 E278 L279T275-E277 PolarHBondContact O-N 3.24Å; T275-E278 PolarHBondContact N-OE2 3.01Å; T275-E278 PolarHBondContact O-N 3.22Å; T275-E278 VanDerWaalsContact OG1-CG 3.29Å; T275-E278 WeakPolarHBondContact OG1-CG 3.25Å; T275-E278 PolarHBondContact OG1-N 3.38Å; T275-E278 VanDerWaalsContact OG1-N 3.13Å; T275-L279 WeakPolarHBondContact O-CG 3.17Å; T275-L279 PolarHBondContact O-N 3.32Å; T275-L279 VanDerWaalsContact O-N 3.11Å
276L83.8Confident83.9Confident81 Ų8173 Ų7342%0.42437%0.368SS..Hα-helixtrans-58.1-31173.7-71.2175.5000111.8F216 R280F216-L276 HydrophobicContact CE1-CD2 4.07Å; L276-R280 VanDerWaalsContact O-CG 3.28Å; L276-R280 WeakPolarHBondContact O-CG 3.48Å; L276-R280 PolarHBondContact O-N 3.08Å
277E87.4Confident83.7Confident99 Ų9976.6 Ų76.646%0.46339%0.386SS..Hα-helixtrans-71-46.1178.7-167.956.1-154.400112.1T275 L279 R280 I281T275-E277 PolarHBondContact O-N 3.24Å; E277-L279 VanDerWaalsContact C-N 3.26Å; E277-L279 PolarHBondContact O-N 3Å; E277-R280 WeakPolarHBondContact O-CB 3.44Å; E277-R280 PolarHBondContact O-N 3.39Å; E277-R280 VanDerWaalsContact O-N 3.11Å; E277-R280 IonicContact OE2-NH1 3.71Å; E277-R280 PolarHBondContact OE2-NH1 3.21Å; E277-I281 HydrophobicContact CG-CD1 4.25Å; E277-I281 WeakPolarHBondContact O-CG1 3.19Å; E277-I281 PolarHBondContact O-N 2.81Å
278E87.8Confident82.8Confident86 Ų8682 Ų8240%0.40242%0.415SS..Hα-helixtrans-57.9-39.2173.8-73.7162.1-165.900112.4S274 T275 T282S274-E278 WeakPolarHBondContact CA-OE2 3.16Å; S274-E278 WeakPolarHBondContact CB-OE2 3.42Å; S274-E278 PolarHBondContact OG-OE2 3.47Å; S274-E278 VanDerWaalsContact OG-OE2 3.14Å; T275-E278 PolarHBondContact N-OE2 3.01Å; T275-E278 PolarHBondContact O-N 3.22Å; T275-E278 VanDerWaalsContact OG1-CG 3.29Å; T275-E278 WeakPolarHBondContact OG1-CG 3.25Å; T275-E278 PolarHBondContact OG1-N 3.38Å; T275-E278 VanDerWaalsContact OG1-N 3.13Å; E278-T282 WeakPolarHBondContact O-CB 3.4Å; E278-T282 PolarHBondContact O-N 3.26Å; E278-T282 PolarHBondContact O-OG1 2.85Å
279L85.2Confident81.2Confident24 Ų2484 Ų8413%0.12645%0.451CS..Hα-helixtrans-66.6-40.1175.7-70-177.6000112.4V212 F216 T275 E277 T282 K283V212-L279 HydrophobicContact CG1-CD2 4.13Å; F216-L279 HydrophobicContact CE1-CD1 4.36Å; F216-L279 HydrophobicContact CE2-CD1 3.94Å; F216-L279 HydrophobicContact CZ-CD1 3.44Å; F216-L279 VanDerWaalsContact CZ-CD1 3.44Å; T275-L279 WeakPolarHBondContact O-CG 3.17Å; T275-L279 PolarHBondContact O-N 3.32Å; T275-L279 VanDerWaalsContact O-N 3.11Å; E277-L279 VanDerWaalsContact C-N 3.26Å; E277-L279 PolarHBondContact O-N 3Å; L279-T282 PolarHBondContact O-N 3.16Å; L279-K283 WeakPolarHBondContact O-CB 3.5Å; L279-K283 PolarHBondContact O-N 3.03Å
280R85.8Confident81.1Confident148 Ų14882.8 Ų82.856%0.55845%0.452SS*.Hα-helixtrans-63.3-44.6175.7-74.4169.8-171.5158-1.9111.5L276 E277 T282 K283 T284L276-R280 VanDerWaalsContact O-CG 3.28Å; L276-R280 WeakPolarHBondContact O-CG 3.48Å; L276-R280 PolarHBondContact O-N 3.08Å; E277-R280 WeakPolarHBondContact O-CB 3.44Å; E277-R280 PolarHBondContact O-N 3.39Å; E277-R280 VanDerWaalsContact O-N 3.11Å; E277-R280 IonicContact OE2-NH1 3.71Å; E277-R280 PolarHBondContact OE2-NH1 3.21Å; R280-T282 VanDerWaalsContact C-N 3.35Å; R280-K283 PolarHBondContact O-N 3.37Å; R280-T284 WeakPolarHBondContact O-CB 3.4Å; R280-T284 PolarHBondContact O-N 3.47Å; R280-T284 PolarHBondContact O-OG1 2.95Å
281I85.1Confident80.8Confident92 Ų9286.2 Ų86.247%0.47247%0.47SS..Hα-helixtrans-60.4-47.6176.3-66165.7000109.8E277 K283 T284 S285E277-I281 HydrophobicContact CG-CD1 4.25Å; E277-I281 WeakPolarHBondContact O-CG1 3.19Å; E277-I281 PolarHBondContact O-N 2.81Å; I281-K283 PolarHBondContact O-N 3.15Å; I281-T284 PolarHBondContact O-N 2.97Å; I281-S285 PolarHBondContact O-N 3.23Å; I281-S285 PolarHBondContact O-OG 3.4Å; I281-S285 VanDerWaalsContact O-OG 3.14Å
282T81.5Confident80.3Confident60 Ų6088.2 Ų88.237%0.36848%0.479SS..Hα-helixtrans-61.2-43.7179.9-56.10000111.8E278 L279 R280 S285 Q286E278-T282 WeakPolarHBondContact O-CB 3.4Å; E278-T282 PolarHBondContact O-N 3.26Å; E278-T282 PolarHBondContact O-OG1 2.85Å; L279-T282 PolarHBondContact O-N 3.16Å; R280-T282 VanDerWaalsContact C-N 3.35Å; T282-S285 PolarHBondContact O-N 3.44Å; T282-Q286 VanDerWaalsContact O-CG 3.3Å; T282-Q286 WeakPolarHBondContact O-CG 3.29Å; T282-Q286 PolarHBondContact O-N 3.02Å; T282-Q286 VanDerWaalsContact O-N 3.11Å
283K81.1Confident80Confident127 Ų12789.7 Ų89.755%0.55249%0.485SS*.Hα-helixtrans-62.8-45.7177.6-175.9177.5172.2-177.60111.5L279 R280 I281 S285 Q286 E287L279-K283 WeakPolarHBondContact O-CB 3.5Å; L279-K283 PolarHBondContact O-N 3.03Å; R280-K283 PolarHBondContact O-N 3.37Å; I281-K283 PolarHBondContact O-N 3.15Å; K283-S285 VanDerWaalsContact C-N 3.34Å; K283-S285 PolarHBondContact O-N 3.48Å; K283-Q286 PolarHBondContact O-N 3.43Å; K283-Q286 VanDerWaalsContact O-N 3.13Å; K283-E287 WeakPolarHBondContact CE-OE1 3.45Å; K283-E287 IonicContact NZ-OE1 3.68Å; K283-E287 WeakPolarHBondContact O-CG 3.21Å; K283-E287 PolarHBondContact O-N 3.41Å; K283-E287 VanDerWaalsContact O-N 3.08Å
284T78.4Confident79.6Confident72 Ų7289.4 Ų89.444%0.44249%0.492SS..Hα-helixtrans-61.2-42.8178.4-50.70000111.3R280 I281 Q286 E287 L288R280-T284 WeakPolarHBondContact O-CB 3.4Å; R280-T284 PolarHBondContact O-N 3.47Å; R280-T284 PolarHBondContact O-OG1 2.95Å; I281-T284 PolarHBondContact O-N 2.97Å; T284-Q286 VanDerWaalsContact C-N 3.28Å; T284-Q286 PolarHBondContact O-N 2.92Å; T284-E287 PolarHBondContact O-N 2.9Å; T284-L288 HydrophobicContact CG2-CD1 4.05Å; T284-L288 WeakPolarHBondContact O-CG 3.33Å; T284-L288 PolarHBondContact O-N 3.01Å
285S75.6Confident79.1Confident78 Ų7894.8 Ų94.855%0.54552%0.521SS..Hα-helixtrans-65.1-29.4176.4-62.40000113.5I281 T282 K283I281-S285 PolarHBondContact O-N 3.23Å; I281-S285 PolarHBondContact O-OG 3.4Å; I281-S285 VanDerWaalsContact O-OG 3.14Å; T282-S285 PolarHBondContact O-N 3.44Å; K283-S285 VanDerWaalsContact C-N 3.34Å; K283-S285 PolarHBondContact O-N 3.48Å
286Q74.2Confident78.6Confident86 Ų8696.9 Ų96.940%0.40253%0.529SS..Hα-helixtrans-79.3-25.7176.9-72.9173.41.600113.3K207 T282 K283 T284K207-Q286 HydrophobicContact CB-CG 4.49Å; T282-Q286 VanDerWaalsContact O-CG 3.3Å; T282-Q286 WeakPolarHBondContact O-CG 3.29Å; T282-Q286 PolarHBondContact O-N 3.02Å; T282-Q286 VanDerWaalsContact O-N 3.11Å; K283-Q286 PolarHBondContact O-N 3.43Å; K283-Q286 VanDerWaalsContact O-N 3.13Å; T284-Q286 VanDerWaalsContact C-N 3.28Å; T284-Q286 PolarHBondContact O-N 2.92Å
287E76Confident78.2Confident133 Ų13398.1 Ų98.162%0.62154%0.537SS*.Hα-helixtrans-79.8-25.2175.8-71170.5175.400111.9K283 T284K283-E287 WeakPolarHBondContact CE-OE1 3.45Å; K283-E287 IonicContact NZ-OE1 3.68Å; K283-E287 WeakPolarHBondContact O-CG 3.21Å; K283-E287 PolarHBondContact O-N 3.41Å; K283-E287 VanDerWaalsContact O-N 3.08Å; T284-E287 PolarHBondContact O-N 2.9Å
288L68.2Low77.4Confident148 Ų14898 Ų9878%0.77554%0.543SS*.  trans-90.2-10.1-178.8-69.9170.6000115T284T284-L288 HydrophobicContact CG2-CD1 4.05Å; T284-L288 WeakPolarHBondContact O-CG 3.33Å; T284-L288 PolarHBondContact O-N 3.01Å
289G50.1Low76.5Confident122 Ų12299.1 Ų99.1100%1.25856%0.556SS**  trans-116.80-173.400000114.2

Retrieved 289 of 289 residues in 415.3 ms (Link to these results)